data_2daf_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 2daf _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 ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.19 163.29 18.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -87.26 110.92 20.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.95 109.72 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -81.93 136.76 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.2 t -116.75 131.65 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.96 127.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 25' ' ' VAL . 34.7 mt -77.25 127.6 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.6 mm -70.93 -58.38 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.688 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.73 -33.88 15.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.749 2.299 . . . . 0.0 112.317 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG2' HD11 ' A' ' 22' ' ' LEU . 2.6 t -87.03 -46.86 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.52 83.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.12 174.07 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -129.6 129.5 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.0 mt -136.29 132.53 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -113.29 131.29 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.47 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 3.5 tt -151.8 136.39 10.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.75 135.5 30.63 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -141.62 143.55 33.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -73.66 142.22 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.3 m -79.56 -18.18 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -92.39 -21.38 20.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.2 m -83.58 132.81 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.4 pt -52.3 166.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 66' ' ' LEU . 14.0 mt -73.97 -43.72 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.5 ttpp -35.33 -60.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -36.0 -48.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 24.5 tp -71.36 -36.53 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.6 ttpp -67.52 -65.96 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' LYS . 22.3 t70 -34.92 -32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LYS . 5.3 t60 -60.88 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -50.32 -34.81 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -56.34 -68.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.2 p-80 -49.14 -54.75 14.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.663 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.3 tm? -49.61 -53.92 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.83 -26.4 68.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.02 12.85 59.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.5 pt -118.79 149.51 46.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.6 Cg_endo -69.74 160.08 51.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -85.32 -16.95 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -55.28 -23.84 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 m -106.82 -31.77 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.3 tp -79.6 136.5 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -138.48 179.83 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.7 mt -130.14 159.19 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -136.9 138.91 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -150.08 125.3 10.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.3 p 56.29 38.73 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.22 20.77 69.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -120.57 162.99 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.0 mm -103.27 102.77 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 61.3 mt -74.14 141.99 45.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -97.11 162.09 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -62.84 -55.54 25.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.77 -5.79 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.66 156.75 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.97 158.97 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 2.5 mm? -65.51 -43.69 89.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.7 m -63.35 -19.63 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.5 -33.16 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.449 ' CD2' HD23 ' A' ' 66' ' ' LEU . 12.5 m-70 -86.23 -18.94 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.88 60.16 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.69 126.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.473 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 20.6 mmtp -95.48 160.73 29.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.6 Cg_endo -69.66 153.91 68.78 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 58.82 43.79 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -126.3 163.19 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.87 134.9 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.4 177.71 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -139.98 124.58 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.4 153.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.7 mt -119.81 146.58 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.9 p90 -166.77 164.28 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 t -116.24 134.34 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.1 p -61.92 -40.35 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -111.66 81.75 3.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -36.15 11.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -61.95 -36.81 82.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 mt -89.79 -52.67 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.445 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m-85 -125.58 80.63 65.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.713 0.768 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.3 60.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.458 HG12 ' CD2' ' A' ' 22' ' ' LEU . 48.0 t -97.13 125.76 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -112.93 175.01 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.441 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 44.8 mtm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.69 149.29 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.4 m -79.16 98.34 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.84 114.61 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -88.21 138.16 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.68 130.74 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.9 t -123.95 128.54 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 41.6 mt -78.44 126.45 30.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.507 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.8 -58.4 3.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.671 0.748 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.8 -21.26 33.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -103.16 -58.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 103.24 -5.1 48.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -70.04 156.11 39.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -111.95 136.88 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.13 139.39 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.02 125.71 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -149.1 133.65 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 127.2 14.28 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.351 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 4.3 t80 -128.0 141.08 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -80.47 122.02 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.5 m -58.38 -22.84 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 p30 -89.56 -9.06 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.7 m -94.29 125.18 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -46.78 167.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 15.0 mt -74.98 -40.48 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 30.1 tttp -36.58 -57.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.0 m-85 -36.29 -58.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.552 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.3 tp -58.09 -41.62 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -56.67 -52.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.595 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.3 t60 -48.89 -34.78 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 37.0 m-85 -91.12 -64.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' PHE . 2.0 t -34.53 -50.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.698 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.0 p-80 -61.56 -52.53 64.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.698 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -60.25 -62.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.3 mt -48.82 -24.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.36 -26.09 24.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 28.8 pt -83.9 151.04 60.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.8 Cg_endo -69.8 148.9 65.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -69.88 -16.69 63.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -53.33 -59.93 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.2 m -70.18 -40.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.38 138.61 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.24 166.46 25.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 60' ' ' ARG . 94.1 mt -120.94 159.61 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.458 ' N ' ' CG2' ' A' ' 59' ' ' ILE . 12.1 ttp180 -135.58 127.22 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -142.87 125.32 15.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t 68.75 29.68 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.78 2.09 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 145.12 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.6 mm -79.98 123.59 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -88.91 178.97 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -133.04 179.23 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -75.94 -60.06 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -57.05 -12.74 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.28 138.85 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -113.31 149.06 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 2.4 mm? -55.26 -48.11 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.8 m -60.31 -34.77 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.87 -26.98 68.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -87.08 -28.08 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.36 51.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.5 t -123.61 127.32 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.372 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.463 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 28.9 mmtm -101.22 160.73 25.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.549 0.69 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 53.7 Cg_endo -69.78 149.43 66.76 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 66.07 44.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -129.52 160.19 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mt -111.17 125.27 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.75 175.75 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -140.39 128.13 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 m -135.27 148.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.42 138.22 48.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.1 mt -111.08 141.68 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -158.74 174.0 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -126.67 135.17 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -68.81 -39.57 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -109.78 81.02 1.83 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.63 24.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -40.6 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.0 mt -86.78 -50.45 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.473 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 28.9 m-85 -127.53 79.44 73.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 154.97 66.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.461 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 60.2 t -93.44 140.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -123.56 -179.98 4.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' GLN . 29.5 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.69 132.38 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -69.57 102.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -102.78 110.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -84.78 121.0 27.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -101.71 141.49 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.29 131.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 59.9 mt -82.38 124.18 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.509 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -71.15 -58.28 4.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 -28.62 24.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.4 t -94.4 -56.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.45 -8.08 51.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.46 138.95 38.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 110.954 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 29' ' ' ILE . 19.4 tt0 -99.93 154.22 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 28' ' ' GLU . 55.9 mt -147.23 130.22 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.3 t -105.49 122.71 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 7.7 tt -143.65 136.11 13.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.669 0.747 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.73 118.74 5.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.5 t80 -119.75 153.7 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -88.77 136.53 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.43 -19.72 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -100.11 24.56 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 m -133.56 138.68 46.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.0 pt -52.16 156.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 9.4 mt -69.88 -34.55 73.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' TYR . 5.1 tmtm? -36.47 -56.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.5 m-85 -34.97 -59.13 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 9.7 tp -66.73 -39.26 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -51.26 -59.6 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 45' ' ' HIS . 2.7 p30 -56.32 -51.9 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 4.6 t60 -36.41 -38.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -87.79 -55.3 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.9 t -39.58 -59.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.669 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.9 p-80 -55.06 -55.12 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.669 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -49.69 -62.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 98' ' ' ARG . 17.4 mt -52.14 -24.98 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.24 5.3 72.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 pt -112.93 151.39 44.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.558 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.7 152.48 69.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -77.46 -14.81 59.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -56.56 -25.65 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.1 m -105.09 -32.59 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.455 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.4 tp -75.65 137.08 40.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -137.9 163.67 30.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.39 128.39 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.473 ' CZ ' ' OE1' ' A' ' 86' ' ' GLU . 18.0 ttp180 -109.97 130.56 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -136.04 127.69 28.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t 53.71 38.15 27.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.75 26.03 74.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -127.14 157.47 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.713 0.292 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.29 91.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.5 mt -60.93 161.18 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -125.56 -176.29 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -78.95 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.71 -21.81 42.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.53 132.37 47.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m -100.47 159.77 14.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.47 -51.37 60.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 m -57.46 -27.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.84 -35.96 81.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -83.75 -23.69 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.12 67.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.483 ' CG1' ' OE2' ' A' ' 81' ' ' GLU . 94.9 t -132.03 120.3 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -88.21 153.87 51.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.543 0.687 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.43 57.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' LEU . 94.3 mt-30 62.28 38.99 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.483 ' OE2' ' CG1' ' A' ' 77' ' ' VAL . 7.4 pt-20 -118.33 177.03 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.6 mt -122.76 133.38 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.92 -177.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -142.87 116.23 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.0 m -118.21 170.34 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 60' ' ' ARG . 35.0 mt-10 -132.14 138.8 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 57' ' ' LEU . 25.2 mt -119.39 139.72 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -165.03 167.98 17.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.8 t -114.86 134.17 55.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.1 p -62.8 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -119.34 80.93 21.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.568 0.699 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -15.32 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.85 -36.83 62.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.2 mt -92.23 -46.9 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.558 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 50.2 m-85 -128.54 80.6 72.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.758 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.75 48.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.9 t -86.08 118.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.428 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 4.8 mmp_? -109.07 148.37 30.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 6.7 ttp-105 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.38 137.82 53.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -63.84 106.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.39 117.7 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -94.32 125.01 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.68 132.01 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.89 129.77 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 29.2 mt -81.55 125.39 30.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -70.04 -57.96 5.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.148 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.76 -33.24 16.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.4 t -88.12 -52.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.99 3.66 63.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -81.63 156.52 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -112.15 135.97 52.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.1 mt -132.72 140.72 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -117.37 125.69 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -152.43 134.07 8.33 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 119.73 6.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.6 t80 -122.06 148.4 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -81.53 138.18 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.1 m -83.64 -6.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -112.0 -0.33 15.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.5 m -104.11 124.92 49.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pt -40.6 142.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.83 -15.48 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -51.89 -47.4 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -45.98 -66.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -62.76 -42.61 99.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.75 -49.33 59.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -43.74 -36.54 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.47 -26.66 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -66.35 -38.39 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.666 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.6 p-80 -76.39 -54.72 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.666 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 1.5 tm? -50.16 -56.49 10.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 98' ' ' ARG . 41.8 mt -61.63 -41.37 97.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.22 -0.11 44.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.2 pt -104.24 150.61 38.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 139.34 39.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -58.9 -12.47 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -58.69 -55.84 29.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 m -74.11 -28.09 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 tp -80.35 135.9 36.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -136.38 171.33 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 60' ' ' ARG . 74.6 mt -127.13 140.94 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.418 ' N ' HG22 ' A' ' 59' ' ' ILE . 4.2 ttm180 -123.69 133.84 53.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -151.21 138.53 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 55.65 31.01 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.78 6.37 43.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -122.91 137.29 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.0 mm -73.06 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mt -106.87 158.74 16.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -114.5 157.9 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -58.97 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -48.87 -22.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 157.4 22.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.65 170.83 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.15 -37.17 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.8 m -60.2 -41.57 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -64.71 -11.09 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -105.95 -14.13 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.42 64.09 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.55 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.75 136.4 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -106.1 156.16 37.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.57 43.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 73.93 44.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -126.96 168.4 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.3 mt -110.72 131.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -141.35 -177.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -146.49 117.94 7.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.4 m -123.6 144.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -103.1 159.53 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.9 mt -137.62 140.73 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -161.15 168.8 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 t -119.83 131.71 55.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.9 p -61.65 -28.67 69.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -123.02 81.89 50.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.43 25.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.58 -48.11 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 95' ' ' TYR . 18.8 mt -79.43 -44.81 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.415 ' CD1' ' HB3' ' A' ' 94' ' ' LEU . 40.0 m-85 -134.41 81.9 47.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.56 41.59 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.429 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 56.8 t -103.18 130.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.402 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 37.7 mmm-85 -112.55 158.87 19.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.75 129.98 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -65.34 101.73 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.3 t -104.56 112.9 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -85.7 139.54 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.6 t -120.79 118.99 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -113.35 127.27 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 61.3 mt -75.49 126.37 30.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -70.87 -58.7 4.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -33.43 16.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -88.0 -52.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.51 -5.39 60.44 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.438 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -76.69 144.22 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -106.04 144.43 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 30' ' ' VAL . 64.9 mt -137.62 148.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.411 ' N ' HG21 ' A' ' 29' ' ' ILE . 84.9 t -122.22 125.03 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.9 tt -149.12 137.33 11.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.0 Cg_endo -69.77 141.68 45.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 6.2 t80 -146.44 151.02 36.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.73 127.13 34.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.6 m -68.82 -12.8 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 5.44 37.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.7 m -107.61 131.3 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.4 pt -51.49 144.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.407 HD21 ' CD1' ' A' ' 72' ' ' LEU . 9.3 mt -61.8 -23.69 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 2.6 tmtt? -46.01 -64.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.8 m-85 -34.51 -69.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 19.6 tp -43.96 -42.71 6.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 10.7 ttmt -44.17 -69.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -41.23 -46.4 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' ASP . 2.8 t60 -35.8 -47.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -90.97 -35.09 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -58.54 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.7 p80 -61.67 -54.18 46.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -51.14 -59.45 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.6 mt -53.83 -31.67 50.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.06 13.46 49.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -123.29 148.53 55.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.1 Cg_endo -69.78 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.236 . . . . 0.0 112.38 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -51.16 -19.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -53.51 -34.9 59.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.554 HG12 ' CD1' ' A' ' 95' ' ' TYR . 17.1 m -93.61 -23.97 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.446 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.2 tp -91.93 133.18 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -132.87 170.91 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.31 134.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -118.88 126.05 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.423 ' HB3' ' CD1' ' A' ' 66' ' ' LEU . 44.7 t80 -136.66 142.67 43.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m 58.95 29.19 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 7.23 57.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -122.65 147.65 46.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mm -79.68 125.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 61' ' ' TYR . 3.6 mt -93.94 173.38 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -118.27 -178.51 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -86.72 -48.05 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -69.97 -8.91 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.45 166.93 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 m -135.77 147.41 48.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.407 ' CD1' HD21 ' A' ' 39' ' ' LEU . 3.2 mm? -60.56 -42.68 97.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.5 m -65.62 -30.51 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -72.42 -28.91 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.47 -34.76 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.87 54.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.6 t -128.17 131.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.465 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 26.1 mmtm -103.7 160.81 24.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.465 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.2 Cg_endo -69.72 145.59 57.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.383 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 66.51 51.95 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -133.33 166.19 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.7 mt -116.54 127.34 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 m -128.98 -178.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -145.94 114.93 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.6 m -124.65 146.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -108.36 135.52 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.446 HG23 ' CD1' ' A' ' 57' ' ' LEU . 40.6 mt -107.74 143.22 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.0 p90 -164.66 168.24 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -114.77 143.47 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -72.59 -33.35 66.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 94' ' ' LEU . 11.1 t-20 -124.25 81.29 58.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.27 37.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.0 -38.89 69.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.456 HD11 ' ND2' ' A' ' 91' ' ' ASN . 13.7 mt -91.84 -47.45 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.554 ' CD1' HG12 ' A' ' 56' ' ' VAL . 44.8 m-85 -128.22 80.69 71.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.709 0.766 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 150.55 68.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.25 136.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -117.61 -174.96 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' CD2' ' HD3' ' A' ' 34' ' ' LYS . 10.5 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.829 0.347 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.454 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -128.09 138.89 52.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -68.91 105.96 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -108.5 111.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -84.44 146.43 27.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.4 t -125.59 124.17 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.3 t -119.11 126.73 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 38.0 mt -77.61 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.78 -58.41 3.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 111.169 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.8 -22.57 31.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.3 t -101.48 -58.39 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 102.77 -1.29 48.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -76.01 147.3 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -103.33 140.21 37.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -136.49 137.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.0 t -117.1 128.58 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.424 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 5.1 tt -155.15 135.48 8.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.77 134.05 27.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.1 t80 -137.5 154.62 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 34' ' ' LYS . 1.4 mppt? -87.62 131.55 34.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 16' ' ' ALA . 22.6 m -73.79 -22.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -85.2 -26.78 26.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.8 m -82.63 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 pt -48.15 175.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 66' ' ' LEU . 20.8 mt -82.21 -30.41 30.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.7 ttpm? -44.27 -58.09 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.7 m-85 -34.92 -59.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.8 tp -64.28 -41.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -47.27 -69.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -42.94 -48.22 5.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.588 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.09 -39.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -86.61 -47.44 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 p -47.98 -48.92 32.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.658 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.5 p-80 -65.88 -54.6 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.658 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -52.17 -62.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.84 -25.81 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.05 27.92 27.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -136.85 152.38 74.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 143.08 49.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -71.04 -7.59 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.5 t -61.22 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.2 m -84.15 -32.23 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.23 137.98 39.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -139.64 163.17 33.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.74 148.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -121.16 134.71 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.412 ' CB ' HD12 ' A' ' 66' ' ' LEU . 70.8 t80 -149.73 125.39 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p 53.15 43.21 31.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.97 19.3 58.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -118.58 158.99 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -102.56 90.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 61' ' ' TYR . 62.7 mt -57.63 162.23 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -124.33 -175.95 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -80.39 -41.01 25.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.8 -13.68 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.38 148.95 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 m -125.02 146.22 49.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -69.0 -33.4 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -63.31 -31.49 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -84.87 -32.51 23.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.59 55.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -125.58 125.21 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.0 157.06 37.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 153.13 69.43 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.76 37.53 9.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -121.74 163.85 18.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -112.68 123.01 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 m -122.24 176.24 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -145.18 114.07 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.45 162.55 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -122.32 133.98 54.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 88' ' ' PHE . 36.1 mt -107.08 144.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.7 p90 -162.35 174.49 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 t -119.34 128.46 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -53.84 -40.97 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -127.11 86.29 59.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.84 33.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -73.17 -28.63 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.59 -51.71 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -125.0 78.66 66.02 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.707 0.765 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.26 63.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.458 ' CG1' HD22 ' A' ' 22' ' ' LEU . 97.4 t -92.37 151.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -134.5 166.69 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.855 0.359 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.12 128.4 56.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -60.54 101.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -107.92 111.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HE2' ' CG2' ' A' ' 82' ' ' ILE . 38.6 mtmt -85.33 128.69 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.1 t -110.92 129.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -122.95 130.51 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' GLY . 37.9 mt -78.92 125.23 29.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.508 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -71.37 -58.26 3.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -17.23 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.362 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -108.47 -58.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 105.47 -3.85 40.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -73.49 146.54 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.723 0.297 . . . . 0.0 110.953 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 29' ' ' ILE . 3.1 tp10 -109.06 144.53 36.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 43.8 mt -141.22 132.34 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.83 122.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 2.6 tt -147.58 136.98 11.87 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 15.5 t80 -129.94 149.92 51.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -80.48 144.39 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 m -86.06 -11.79 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -102.26 -24.66 13.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ILE . 41.9 m -81.54 108.68 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -34.78 152.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD1' ' CD ' ' A' ' 70' ' ' GLU . 6.9 mt -66.06 -18.25 65.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -41.86 -41.49 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -65.74 -55.89 14.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.5 tp -57.42 -16.47 9.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -82.8 -59.45 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -41.1 62.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.6 t60 -47.74 -57.19 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -71.72 -41.83 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.522 ' HG ' ' N ' ' A' ' 54' ' ' HIS . 1.1 t -50.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.662 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.0 p-80 -53.51 -54.87 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.662 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.7 tm? -47.45 -61.03 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.28 -23.29 35.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.67 10.84 66.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 pt -117.21 152.21 48.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.54 65.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.522 ' N ' ' HG ' ' A' ' 47' ' ' SER . 15.7 p80 -71.37 -17.21 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -53.44 -55.84 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 m -74.09 -41.65 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tp -69.32 132.95 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -134.32 177.89 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -131.99 148.22 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -130.43 128.42 41.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -146.09 139.91 26.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t 56.15 27.49 11.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.5 69.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -127.45 136.68 52.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -69.03 105.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 mt -66.75 -177.93 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -130.91 -175.35 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.83 -33.94 8.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 1.9 t30 -91.08 -2.09 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -79.81 -175.02 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.407 ' N ' ' CD ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -146.4 142.9 28.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.26 -45.45 84.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -56.98 -31.74 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.13 -22.35 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -93.49 -27.21 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.42 63.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.416 HG11 ' CD ' ' A' ' 81' ' ' GLU . 87.1 t -134.88 132.22 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -99.84 156.54 35.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 149.98 67.7 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.65 2.234 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 63.23 37.95 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.416 ' CD ' HG11 ' A' ' 77' ' ' VAL . 7.2 pt-20 -118.4 165.74 13.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CG2' ' HE2' ' A' ' 19' ' ' LYS . 60.9 mt -111.19 130.25 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -137.59 176.83 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -133.16 124.73 28.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.5 m -130.78 149.91 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -116.36 139.48 50.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -115.46 142.72 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.1 p90 -166.6 171.77 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.54 45.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.6 p -68.38 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.47 ' ND2' HD11 ' A' ' 94' ' ' LEU . 5.7 t30 -131.36 86.49 50.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.54 28.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.311 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.33 -35.89 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.47 HD11 ' ND2' ' A' ' 91' ' ' ASN . 44.1 mt -93.57 -51.1 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -127.9 82.65 67.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.714 0.769 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.34 66.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.402 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 58.9 t -95.73 143.19 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -133.44 165.91 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -73.41 90.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.85 107.6 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -82.65 146.89 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.58 147.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.66 131.39 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 77.1 mt -86.32 123.07 31.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.43 -58.11 4.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 0.0 111.113 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.71 -18.23 37.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -107.43 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 104.76 -3.15 41.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -73.1 153.87 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -112.34 130.98 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -130.75 131.89 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.7 t -112.0 128.33 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tt -149.45 133.48 8.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 116.66 4.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.5 t80 -116.54 153.73 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -81.83 132.14 35.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.33 -25.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.21 33.43 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.2 m -137.69 131.65 31.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 pt -46.79 145.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.27 -13.99 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -49.66 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -42.83 -59.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.14 -34.27 77.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -54.97 -73.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -44.81 -35.0 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -52.44 -55.95 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -72.84 -37.72 67.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -53.2 -66.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.8 p-80 -53.4 -55.01 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.0 -25.11 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.2 3.59 61.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.9 pt -117.39 151.73 48.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.723 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.354 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -87.93 -11.83 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.4 t -64.16 -16.95 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 m -114.87 -20.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 tp -90.33 147.07 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -146.2 174.93 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mt -134.23 132.43 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -109.81 126.38 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -140.15 125.41 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m 62.98 26.07 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.814 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.48 -7.56 61.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -113.8 142.05 46.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mm -77.87 143.59 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mt -116.04 140.48 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -103.59 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 68' ' ' ASN . 7.1 p-10 -64.5 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -40.87 -28.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -78.8 142.12 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -114.88 158.33 22.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.36 -45.67 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.09 -22.76 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.76 -21.01 52.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -96.71 -14.4 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.84 56.77 0.55 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.473 ' CG1' ' OE2' ' A' ' 81' ' ' GLU . 87.8 t -129.62 132.44 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 27.1 mmtt -106.27 160.8 24.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.0 Cg_endo -69.75 150.52 68.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 61.62 41.55 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.473 ' OE2' ' CG1' ' A' ' 77' ' ' VAL . 7.8 pt-20 -124.35 160.36 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.5 mt -109.35 131.25 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.12 178.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -140.75 121.33 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -129.52 151.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -113.91 145.02 42.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 88' ' ' PHE . 51.8 mt -121.92 142.65 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 6.1 p90 -166.67 159.9 14.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -108.34 139.44 43.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.3 p -70.09 -36.26 74.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -113.36 80.84 4.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -20.19 34.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.15 -33.7 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.2 mt -94.74 -44.56 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -132.3 80.96 62.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.683 0.754 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.4 57.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.344 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.402 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 95.0 t -98.99 145.46 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -126.13 163.06 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.06 133.04 53.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.1 m -65.96 108.81 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.6 t -110.08 101.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -76.7 127.48 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 85' ' ' VAL . 85.6 t -115.57 145.8 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -135.35 126.13 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 32.8 mt -75.63 128.14 34.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.496 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -70.63 -58.6 4.42 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.183 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.8 -37.48 9.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.627 2.218 . . . . 0.0 112.372 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.8 t -81.94 -40.17 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.37 4.25 88.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.448 ' NE2' ' HD3' ' A' ' 99' ' ' ARG . 5.0 tt0 -90.4 142.65 27.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -90.53 150.62 21.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -145.36 126.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.53 120.19 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 tt -146.16 132.05 9.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 14.7 t80 -122.18 158.77 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -89.81 128.8 36.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.2 -28.82 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.87 14.45 7.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 38' ' ' ILE . 55.4 m -124.08 134.91 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.421 ' N ' HG21 ' A' ' 37' ' ' THR . 9.2 pt -48.47 152.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.62 -27.97 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -42.09 -61.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' LYS . 13.4 m-85 -36.08 -60.26 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.7 tp -55.72 -40.74 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LYS . 26.0 ttmt -60.17 -45.84 91.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -59.02 -54.57 45.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 4.9 t60 -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -88.79 -43.74 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 p -48.71 -47.75 40.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.1 p-80 -67.2 -54.85 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.656 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -50.83 -61.23 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.32 -22.21 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.81 -16.42 58.34 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.5 pt -89.98 149.86 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.34 38.66 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -78.19 -18.75 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -53.06 -54.42 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.85 -43.09 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 tp -65.44 134.57 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -136.27 169.94 16.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.61 137.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -118.36 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -133.38 135.62 44.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t 54.99 28.52 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.59 13.73 83.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' CG ' HD21 ' A' ' 66' ' ' LEU . 4.6 ptmt -118.57 171.53 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.2 mm -109.87 102.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.454 HD21 ' CG ' ' A' ' 64' ' ' LYS . 20.3 mt -73.09 168.65 18.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.59 175.33 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.54 -58.16 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.53 -34.01 56.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.31 174.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -150.72 150.76 31.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.4 -47.0 87.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.7 -18.5 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -83.79 -19.01 35.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -97.49 -14.43 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.71 54.34 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.0 t -124.79 131.99 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -100.06 156.62 35.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.43 60.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.356 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 66.77 38.73 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.39 171.41 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.11 133.1 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.26 178.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -141.13 117.47 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.415 ' CG2' HG21 ' A' ' 20' ' ' VAL . 30.8 m -122.88 170.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -133.43 146.0 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.7 mt -124.02 134.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.9 p90 -161.47 154.98 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -103.63 132.83 49.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.8 p -65.2 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -109.38 79.42 1.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.73 34.33 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.91 -34.56 57.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.7 mt -92.29 -45.78 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -129.97 78.7 74.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.81 41.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.419 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 5.2 t -83.15 134.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -119.55 165.39 14.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.448 ' HD3' ' NE2' ' A' ' 27' ' ' GLN . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.46 147.59 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -79.65 110.36 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -111.3 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -71.68 137.61 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.0 t -115.8 137.23 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.0 t -131.96 126.74 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 51.8 mt -79.87 127.04 31.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -70.86 -58.79 4.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.717 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.72 -34.44 14.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.64 2.227 . . . . 0.0 112.387 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -86.06 -54.7 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.01 10.7 60.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -88.38 143.37 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -92.35 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mt -143.36 132.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -111.38 129.55 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 8.1 tt -150.85 136.06 10.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.647 0.737 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.73 152.53 69.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 2.8 t80 -157.89 152.21 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 124.14 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.16 -17.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -12.79 26.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -94.5 130.05 41.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.4 pt -48.02 165.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.459 HD21 ' CD2' ' A' ' 72' ' ' LEU . 9.4 mt -76.1 -32.38 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.6 tmtp? -39.39 -59.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.2 m-85 -35.96 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.6 tp -55.32 -42.98 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -61.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.37 -44.35 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.529 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.63 -61.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -69.79 -54.8 11.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.28 -67.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.699 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.3 p-80 -45.97 -55.0 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.699 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 2.3 tm? -49.2 -62.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.16 -25.66 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.83 -13.33 62.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 13.2 pt -87.79 148.11 42.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 155.26 66.31 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -5.19 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 p -68.18 -59.28 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 95' ' ' TYR . 4.0 m -67.99 -28.57 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.413 ' CD1' HG23 ' A' ' 87' ' ' ILE . 6.2 tp -82.04 144.21 31.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.437 ' OE1' ' CG2' ' A' ' 90' ' ' THR . 11.0 mt-30 -145.18 175.45 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.13 131.7 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -113.42 125.37 54.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.449 ' HB3' ' CD1' ' A' ' 66' ' ' LEU . 80.1 t80 -140.68 130.3 24.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t 63.4 26.86 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.4 76.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 146.38 44.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.54 126.07 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 61' ' ' TYR . 17.3 mt -91.31 130.69 37.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -78.91 159.01 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -67.47 -38.18 84.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -80.39 -4.08 52.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.43 134.5 34.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -99.03 150.09 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD2' HD21 ' A' ' 39' ' ' LEU . 3.5 mm? -56.08 -57.47 12.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.04 -46.49 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.9 -37.08 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -79.78 -18.75 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.83 63.75 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.1 t -131.84 124.2 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -91.56 158.05 41.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 151.86 69.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.298 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 60.18 43.06 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -122.81 166.82 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -113.29 126.84 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.5 m -130.45 -175.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -150.18 118.83 6.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.79 168.16 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -129.08 133.67 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.413 HG23 ' CD1' ' A' ' 57' ' ' LEU . 62.4 mt -112.79 128.84 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 10.3 p90 -150.82 163.08 39.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -108.7 136.76 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.437 ' CG2' ' OE1' ' A' ' 58' ' ' GLN . 69.3 p -64.32 -37.73 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -122.83 87.01 50.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.68 31.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.81 -28.6 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.8 mt -98.42 -49.1 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.467 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 26.8 m-85 -131.83 82.42 60.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.717 0.77 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 151.33 68.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.412 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 24.3 t -93.39 114.74 30.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -98.89 167.38 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.49 140.16 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m -69.18 112.12 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.04 100.61 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -79.4 122.39 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.9 t -103.83 136.37 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.9 t -125.97 128.08 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 26.4 mt -77.06 127.26 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -71.99 -58.36 3.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.8 -27.67 26.0 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.73 2.287 . . . . 0.0 112.29 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -94.79 -53.59 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.06 62.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -75.47 151.91 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -105.15 136.27 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mt -133.3 126.86 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.64 120.48 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.46 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.5 tt -141.81 136.89 15.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.76 122.87 9.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.333 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 3.2 t80 -131.46 154.21 48.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.38 150.49 20.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.2 m -89.06 -14.54 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -31.92 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 38' ' ' ILE . 18.7 m -83.26 139.11 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.458 ' N ' HG23 ' A' ' 37' ' ' THR . 7.9 pt -53.14 176.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.428 ' CD1' HD13 ' A' ' 66' ' ' LEU . 17.2 mt -86.22 -13.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' TYR . 31.0 ttpt -63.08 -54.91 30.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.4 m-85 -36.03 -53.48 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 18.8 tp -65.09 -40.89 95.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' LYS . 16.9 ttmt -50.35 -48.59 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -55.7 -45.5 77.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.596 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.4 t60 -44.72 -36.33 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 40.1 m-85 -90.71 -54.52 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' PHE . 23.1 p -37.13 -41.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.3 p-80 -77.15 -54.73 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -53.37 -62.59 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.53 -24.0 18.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.34 34.13 30.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 41.0 pt -138.68 150.88 67.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.91 22.28 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.28 . . . . 0.0 112.36 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -56.52 -13.47 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.3 p -57.42 -57.77 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m -72.06 -29.5 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' CD1' HG23 ' A' ' 87' ' ' ILE . 9.3 tp -79.37 135.44 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -138.49 163.77 31.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.2 mt -121.67 134.12 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -112.96 128.92 56.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -129.73 128.54 42.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t 58.3 24.96 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.61 -12.49 65.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -93.2 164.37 13.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.8 mm -103.65 107.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.428 HD13 ' CD1' ' A' ' 39' ' ' LEU . 4.8 mt -76.14 176.07 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -129.72 167.32 18.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -26.87 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -84.78 -25.63 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.16 128.81 37.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m -103.63 150.47 23.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.417 ' CD2' ' CD2' ' A' ' 39' ' ' LEU . 4.3 mm? -54.2 -47.55 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 m -66.77 -28.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -65.82 -27.37 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -92.91 -18.31 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.64 56.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.11 121.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.49 156.74 38.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.41 57.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.299 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 63.77 27.19 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.01 168.99 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.8 mt -120.26 132.86 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.4 m -134.4 -179.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -141.88 117.24 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.6 m -123.5 157.61 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -121.36 140.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.435 HG23 ' CD1' ' A' ' 57' ' ' LEU . 37.0 mt -117.91 134.35 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.4 p90 -153.05 167.63 28.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -111.2 127.0 55.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.2 p -54.66 -41.29 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.435 ' ND2' HD12 ' A' ' 94' ' ' LEU . 4.3 t30 -124.87 86.33 56.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.76 33.56 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.96 -26.94 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.435 HD12 ' ND2' ' A' ' 91' ' ' ASN . 25.0 mt -102.55 -48.27 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.414 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 47.6 m-85 -131.92 80.87 64.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 158.41 57.13 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.7 118.34 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -105.74 149.46 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.883 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.75 137.12 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -70.53 104.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.65 109.23 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -79.97 127.81 32.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.34 131.21 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -128.79 130.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 32.3 mt -80.6 128.2 33.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -70.83 -58.48 4.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -34.88 13.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.738 2.292 . . . . 0.0 112.294 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.8 t -85.72 -45.19 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.19 0.57 86.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -77.64 151.6 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -105.03 144.56 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 30' ' ' VAL . 43.3 mt -142.11 147.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.441 ' N ' HG23 ' A' ' 29' ' ' ILE . 59.2 t -124.46 125.14 69.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 tt -153.99 130.12 5.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.8 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.623 2.215 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 16.4 t80 -133.97 149.62 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.423 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -78.9 139.2 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 m -87.6 -5.76 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -111.27 5.85 20.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -113.13 128.93 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.8 pt -41.44 156.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -43.87 -54.64 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -38.13 -66.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.7 tp -58.21 -37.26 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -54.74 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -55.96 -42.99 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.593 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.0 t60 -39.06 -45.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 28.1 m-85 -82.09 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' PHE . 1.5 m -35.57 -61.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.687 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.4 p-80 -52.61 -54.46 32.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 1.7 tm? -51.33 -62.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.42 -16.97 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.57 -26.46 13.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.6 pt -77.02 150.92 81.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.608 0.718 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.528 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.4 Cg_endo -69.73 155.56 65.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -77.61 -16.82 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -52.62 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.421 HG11 ' ND2' ' A' ' 91' ' ' ASN . 35.1 m -70.0 -45.11 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.93 139.54 58.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -142.0 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 60' ' ' ARG . 23.1 mt -122.65 137.75 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.45 ' N ' HG22 ' A' ' 59' ' ' ILE . 5.9 ttm180 -117.28 136.35 53.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -154.39 135.4 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m 59.57 26.04 15.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.05 11.62 70.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.07 149.6 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 mm -85.77 121.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.26 165.77 13.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -117.81 173.63 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -70.06 -68.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -49.49 -18.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -74.96 132.32 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.33 166.05 10.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.12 -45.44 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.8 m -58.17 -23.91 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -74.4 -34.68 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.82 -9.84 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 61.4 0.77 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.405 HG11 ' CD ' ' A' ' 81' ' ' GLU . 73.4 t -129.78 129.11 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -97.38 158.25 33.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.04 66.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 61.52 43.28 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' CD ' HG11 ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.26 161.34 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.61 129.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 -178.7 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -140.47 121.31 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.3 m -127.75 156.29 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -118.42 149.86 40.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.83 140.89 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -164.07 157.45 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -101.28 130.13 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.6 p -56.26 -37.29 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 94' ' ' LEU . 52.1 p-10 -126.52 90.6 49.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -25.07 29.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.39 -29.4 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.431 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 36.6 mt -96.84 -48.46 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.528 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 33.1 m-85 -132.22 81.71 60.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.698 0.761 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.18 64.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.4 133.53 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -117.34 178.41 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.5 143.03 45.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 m -77.14 110.72 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -110.27 110.59 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -82.01 128.49 34.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.24 133.22 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -126.73 126.17 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 25' ' ' VAL . 28.9 mt -74.41 126.93 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -70.55 -58.2 4.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 111.185 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.77 -37.58 8.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG2' HD13 ' A' ' 22' ' ' LEU . 2.8 t -81.77 -53.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.98 6.07 59.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -84.37 161.86 20.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -115.35 141.85 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mt -142.9 128.89 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.0 121.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 tt -144.06 132.58 11.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.48 40.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.1 t80 -142.45 134.71 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.72 140.2 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.08 -37.25 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.45 33.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 38' ' ' ILE . 89.2 m -135.79 143.73 45.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.462 ' N ' HG23 ' A' ' 37' ' ' THR . 20.2 pt -56.36 172.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.9 mt -88.42 -33.53 17.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -36.03 -58.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.7 m-85 -36.48 -56.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.26 -35.21 79.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' LYS . 13.7 ttmt -59.33 -61.33 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.7 m-20 -51.8 -47.54 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 44' ' ' ASP . 4.0 t60 -34.73 -43.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 33.0 m-85 -91.12 -54.12 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' PHE . 32.5 t -36.5 -52.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.668 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.6 p80 -67.49 -54.9 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.668 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -48.18 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -53.22 -23.12 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 18.13 60.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.3 pt -121.56 152.56 58.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.84 58.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -76.7 -13.86 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.6 p -57.5 -21.13 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.445 HG21 ' N ' ' A' ' 57' ' ' LEU . 33.9 m -110.55 -31.46 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.445 ' N ' HG21 ' A' ' 56' ' ' VAL . 5.9 tp -77.34 133.57 38.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -141.56 170.06 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.3 mt -120.93 148.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -124.52 125.21 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -140.83 136.23 32.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 t 56.09 25.18 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.89 8.78 78.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 153.99 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.726 0.298 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.1 mm -90.95 116.12 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.91 165.62 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 70' ' ' GLU . 48.8 mttt -124.87 127.99 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.9 p-10 -38.32 -65.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.9 -29.42 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LYS . 9.0 tt0 -62.91 172.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.17 155.39 50.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.49 -37.83 85.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 m -65.61 -24.11 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -76.89 -25.17 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' CD ' ' A' ' 70' ' ' GLU . 85.1 m-70 -88.82 -31.84 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.37 57.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.4 t -124.14 139.87 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.168 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -109.49 157.02 38.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.47 47.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 65.66 47.32 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -122.83 178.2 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.3 mt -127.54 129.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.77 178.89 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -138.32 121.86 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.0 m -128.37 167.02 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -133.91 129.27 36.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.1 mt -101.01 145.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -166.75 171.71 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.8 t -113.59 138.65 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.6 p -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.462 ' ND2' HD13 ' A' ' 94' ' ' LEU . 16.1 t30 -126.46 82.73 65.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.34 -29.25 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.462 HD13 ' ND2' ' A' ' 91' ' ' ASN . 26.4 mt -98.21 -50.78 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -133.59 78.7 61.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.689 0.757 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 149.1 66.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.71 133.66 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -130.79 147.39 52.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.769 0.318 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.03 136.79 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 112.23 4.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -113.6 111.54 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -88.3 130.43 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 87' ' ' ILE . 85.8 t -108.03 137.35 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -128.82 127.16 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.482 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 24.4 mt -81.46 128.11 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -72.21 -58.29 3.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.145 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.5 Cg_endo -69.71 -18.18 37.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.374 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.8 t -106.4 -56.57 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 95.97 1.27 61.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -78.06 139.87 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.18 135.83 34.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.77 134.12 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.08 127.55 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -148.06 128.37 6.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 125.24 11.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.3 t80 -138.59 147.52 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -77.57 165.13 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.18 -15.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.163 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -108.66 30.49 6.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.1 m -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.564 HD13 ' CD2' ' A' ' 41' ' ' TYR . 2.8 pp -52.43 164.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' LEU . 12.1 mt -88.84 -28.07 20.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' CB ' HD11 ' A' ' 38' ' ' ILE . 23.6 ttpt -36.35 -34.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 38' ' ' ILE . 30.0 m-85 -68.59 -45.26 72.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.512 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 18.6 tp -73.0 -21.3 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -80.94 -48.22 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -58.82 -25.7 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.427 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.9 t60 -68.41 -48.94 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -73.85 -38.38 64.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -55.2 -64.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -50.53 -54.79 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.654 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -51.52 -61.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.92 -29.71 56.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.1 54.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 32.8 pt -93.98 152.09 40.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.758 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 153.81 68.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -75.62 -22.65 56.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 t -44.66 -47.36 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.423 HG21 ' N ' ' A' ' 57' ' ' LEU . 35.3 m -84.35 -42.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 87' ' ' ILE . 3.0 tp -66.38 133.08 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -135.07 175.74 9.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.7 mt -130.56 127.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.8 123.55 50.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -129.32 126.64 39.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 t 55.28 33.6 21.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.87 -3.22 76.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -95.16 167.24 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.47 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.94 134.13 55.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -101.89 177.68 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -73.87 -52.1 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -68.95 -8.64 46.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -76.07 170.52 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.24 146.87 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.6 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.425 HG21 ' N ' ' A' ' 74' ' ' GLN . 11.6 m -49.97 -38.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.425 ' N ' HG21 ' A' ' 73' ' ' VAL . 63.7 mm-40 -62.41 -31.26 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -85.6 -16.1 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.23 62.61 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.496 ' CG1' ' OE2' ' A' ' 81' ' ' GLU . 55.8 t -132.33 130.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -98.73 158.51 32.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 147.36 62.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.697 2.265 . . . . 0.0 112.383 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 62.01 39.63 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.496 ' OE2' ' CG1' ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.51 160.21 26.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.26 138.43 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.49 -177.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -145.45 114.62 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.8 m -118.5 166.55 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -128.71 142.65 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.452 HG22 ' CD1' ' A' ' 57' ' ' LEU . 35.1 mt -119.2 132.41 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.4 p90 -155.92 163.49 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -110.53 123.56 50.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.2 p -56.79 -34.91 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -114.85 79.43 5.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.47 36.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -77.94 -34.51 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.26 -46.96 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.463 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 39.5 m-85 -132.78 78.08 67.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.52 66.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.455 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 49.6 t -83.2 155.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -145.15 145.31 31.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 80' ' ' GLN . 14.3 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . . . -120.34 129.99 54.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -68.36 106.54 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.53 108.37 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -80.08 130.32 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -106.59 141.38 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -135.23 128.12 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 28.8 mt -82.83 130.36 35.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -70.9 -58.51 4.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.84 -36.49 10.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.295 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 99' ' ' ARG . 2.8 t -83.45 -44.71 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 1.13 90.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -76.11 169.13 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -121.03 134.0 55.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -135.04 129.11 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -106.3 127.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -150.79 131.53 7.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 144.0 52.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 4.0 t80 -146.22 149.57 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 117.51 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 16' ' ' ALA . 35.5 m -53.99 -25.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.43 -40.09 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -65.08 125.96 26.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.7 pt -46.58 173.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.2 mt -79.5 -33.19 42.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' TYR . 16.4 tptp -43.88 -57.82 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.2 m-85 -36.1 -55.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 15.9 tp -65.96 -39.34 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -47.18 -52.89 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.19 -41.64 84.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -42.63 -38.64 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 21.6 m-85 -92.75 -55.03 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 8.8 p -34.31 -60.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.5 p80 -56.63 -54.25 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.641 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.19 -60.73 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.4 mt -59.16 -31.05 68.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.51 38.97 7.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 pt -140.99 153.05 66.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.4 Cg_endo -69.73 106.43 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.625 2.216 . . . . 0.0 112.343 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' PRO . 19.2 p80 -36.62 -32.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' PRO . 78.4 p -41.1 -44.92 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 95' ' ' TYR . 13.0 m -76.92 -32.6 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 87' ' ' ILE . 6.1 tp -77.59 155.31 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' HG2' ' C ' ' A' ' 57' ' ' LEU . 13.8 mm100 -147.46 177.64 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.47 133.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -115.08 125.97 54.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.451 ' CD2' ' HE3' ' A' ' 64' ' ' LYS . 18.1 t80 -128.24 126.75 41.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t 50.04 25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.5 24.48 53.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HE3' ' CD2' ' A' ' 61' ' ' TYR . 4.5 ptpt -124.37 154.48 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.298 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.21 114.86 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.7 mt -89.09 158.91 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -116.13 164.0 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.4 p-10 -56.59 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.78 -27.48 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -49.64 158.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.2 m -137.62 143.65 41.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.55 -40.49 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.8 m -67.67 -34.77 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.86 -34.88 73.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -82.95 -25.22 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.72 55.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.5 t -119.11 131.95 70.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.158 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 154.72 36.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.709 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.02 67.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' LEU . 29.7 mm-40 64.74 35.05 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -114.47 173.02 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.82 132.26 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 m -137.82 -179.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -146.82 113.21 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.18 161.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.72 141.43 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 57' ' ' LEU . 20.1 mt -117.71 138.81 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -161.42 177.1 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.436 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 7.8 t -116.86 136.05 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -66.29 -37.85 86.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.419 ' ND2' HD11 ' A' ' 94' ' ' LEU . 26.3 t30 -125.61 83.01 62.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.03 37.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.28 -18.99 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.419 HD11 ' ND2' ' A' ' 91' ' ' ASN . 20.5 mt -112.93 -43.64 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.528 ' CD1' HG12 ' A' ' 56' ' ' VAL . 27.2 m-85 -134.53 82.42 45.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.712 0.767 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.71 48.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 89' ' ' SER . 11.0 t -107.01 142.52 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -129.85 159.06 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.463 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.849 0.357 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.94 149.7 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.059 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.1 m -73.17 98.62 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -105.85 109.34 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -77.96 131.33 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' CG1' HD13 ' A' ' 87' ' ' ILE . 76.3 t -119.01 118.96 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.64 129.64 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.444 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 26.5 mt -78.88 126.71 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.7 mm -69.62 -57.97 6.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.72 -36.39 10.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.4 t -84.58 -47.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.84 -6.11 81.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.88 142.74 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.402 ' C ' HG13 ' A' ' 29' ' ' ILE . 2.2 tt0 -93.25 153.13 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 28' ' ' GLU . 26.8 mt -146.57 126.79 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -106.48 119.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.5 tt -147.08 130.76 8.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.4 4.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.6 t80 -113.29 144.66 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -76.68 125.13 28.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.89 -34.98 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.75 -31.77 68.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 41' ' ' TYR . 3.7 m -75.43 132.25 40.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 pt -47.1 173.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.96 -29.06 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' LYS . 15.3 tttt -48.87 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.451 ' HB2' ' CG2' ' A' ' 37' ' ' THR . 7.1 m-85 -35.17 -42.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 34.3 tp -64.5 -47.43 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 40' ' ' LYS . 5.5 ptpt -71.89 -20.88 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.41 -26.93 56.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.501 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.7 t60 -71.31 -28.96 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -93.71 -30.96 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.2 p -60.14 -30.59 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.635 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 6.0 p-80 -85.17 -54.59 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.635 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.3 tm? -51.08 -55.37 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.42 -33.44 75.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.44 -13.45 61.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.8 pt -89.21 150.03 44.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.449 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.3 Cg_endo -69.7 164.19 35.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -85.19 -13.1 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -57.78 -43.89 85.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.8 m -85.84 -32.33 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 tp -78.5 151.17 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -149.72 178.19 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.7 mt -128.94 141.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -120.7 124.42 45.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.46 ' HB3' ' CD1' ' A' ' 66' ' ' LEU . 89.9 t80 -140.75 133.3 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t 54.54 29.08 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 13.44 60.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.52 130.74 53.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.85 120.42 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -96.06 155.0 16.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -111.62 165.72 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -59.98 -45.32 93.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -58.91 -28.95 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.39 139.08 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -120.0 148.24 43.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.69 -56.83 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.5 m -51.77 -39.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.11 -29.75 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -84.14 -16.02 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.06 50.84 0.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -121.87 122.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 156.12 39.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.57 67.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.355 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 67.96 26.93 7.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.98 166.23 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -110.22 137.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.6 m -137.15 -176.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -146.56 117.42 7.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 m -128.22 147.13 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -112.36 138.57 48.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 88' ' ' PHE . 66.2 mt -116.28 145.35 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.2 p90 -166.53 159.11 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -102.91 133.12 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.3 p -60.14 -41.64 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -123.41 87.9 51.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.87 -32.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.8 mt -98.77 -48.68 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.449 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 32.1 m-85 -126.87 80.56 70.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 154.39 67.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.424 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 57.0 t -95.74 118.25 41.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.49 179.56 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.428 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 21.8 ttt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.441 HD22 ' CD ' ' A' ' 34' ' ' LYS . 67.2 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.819 0.343 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.15 132.54 54.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.2 m -65.26 97.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.6 t -100.39 109.61 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -78.96 143.16 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.9 t -126.34 124.23 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.6 t -119.7 126.79 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 27.1 mt -77.54 128.04 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.03 -58.8 3.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.3 Cg_endo -69.82 -35.27 12.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.6 t -85.13 -53.37 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.12 4.63 64.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -84.02 143.6 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -94.68 141.07 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.2 mt -139.41 142.12 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -123.44 130.53 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 tt -152.5 132.35 7.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.27 13.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.285 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.4 t80 -127.07 164.33 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CD ' HD22 ' A' ' 15' ' ' LEU . 4.1 mmmm -100.25 131.04 46.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.9 m -73.8 -20.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -98.61 21.67 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.8 m -131.03 128.93 41.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 pt -43.62 156.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 mt -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 13.8 tptt -41.34 -58.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -34.88 -61.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.521 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -59.05 -40.01 83.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.7 ttmt -55.94 -62.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.97 -30.31 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.475 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.1 t60 -59.85 -39.81 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -85.74 -34.01 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p -58.38 -37.19 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.7 p-80 -78.41 -54.84 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -54.12 -62.36 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.13 -37.87 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.3 -4.55 44.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 15.0 pt -100.95 147.54 33.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.745 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.31 50.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -82.99 9.48 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -87.5 -8.06 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.16 -24.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.423 ' CD1' HG21 ' A' ' 87' ' ' ILE . 3.3 tp -84.67 131.34 34.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -135.4 154.53 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.2 148.3 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -128.04 126.39 41.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -136.5 135.76 38.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.5 t 57.1 25.54 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.803 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.33 9.55 85.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 146.79 49.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.52 142.6 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mt -117.84 155.32 30.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -99.01 160.14 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -71.2 -45.12 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -59.13 -25.48 63.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.58 -178.23 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 1.4 m -145.13 164.04 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.47 -35.81 78.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.8 m -69.45 -16.3 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 71' ' ' THR . 49.3 mt-30 -83.91 -16.96 42.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -102.46 -12.3 17.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.67 59.48 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.429 HG11 ' CD ' ' A' ' 81' ' ' GLU . 72.9 t -128.2 120.7 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.943 0.402 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -90.83 157.57 43.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.64 63.67 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 64.21 47.61 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.429 ' CD ' HG11 ' A' ' 77' ' ' VAL . 5.6 pt-20 -130.77 163.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.1 mt -106.03 132.17 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 m -135.47 166.63 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -130.86 114.79 15.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -122.11 163.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -121.35 152.1 39.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.423 HG21 ' CD1' ' A' ' 57' ' ' LEU . 15.0 mt -131.09 139.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -163.0 169.48 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.0 t -114.06 122.33 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -46.6 -38.75 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -127.96 86.26 58.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -11.88 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.51 -31.05 63.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.64 -50.56 4.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.459 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 55.4 m-85 -128.45 80.99 71.51 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.7 38.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.42 ' CG1' HD23 ' A' ' 22' ' ' LEU . 45.1 t -76.0 121.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -99.68 165.19 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.45 153.58 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -82.36 109.18 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.74 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -78.65 123.34 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' CG1' ' CD1' ' A' ' 87' ' ' ILE . 78.9 t -101.24 126.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -115.88 134.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 37.2 mt -88.72 127.43 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.5 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -72.05 -58.57 3.23 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.733 . . . . 0.0 111.159 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.82 -27.74 25.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.4 t -94.51 -54.25 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.89 63.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -76.97 155.72 32.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -111.83 133.42 54.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -133.96 126.51 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.2 t -99.89 116.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 tp -129.32 133.46 25.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 113.23 3.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -126.35 156.33 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -88.93 162.23 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.7 m -99.06 -31.18 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.95 25.8 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -130.15 138.33 50.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 pt -56.23 150.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.16 -21.07 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -49.3 -49.69 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -47.06 -56.33 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 20.7 tp -62.53 -33.03 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -57.82 -70.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -39.11 -36.48 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.45 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 3.7 t60 -51.08 -58.95 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -76.56 -35.93 57.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -49.15 71.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -68.3 -54.92 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.661 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -50.84 -59.93 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.51 -26.95 45.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.48 25.22 31.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 38.0 pt -130.61 150.66 76.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.658 0.742 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.73 36.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.56 -19.7 27.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -54.77 -59.08 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.2 m -69.3 -28.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.455 ' CD1' HG23 ' A' ' 87' ' ' ILE . 11.1 tp -81.72 142.72 32.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -143.6 171.68 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.1 mt -130.71 134.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -114.78 137.07 52.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -144.67 125.09 13.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 64.33 26.05 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.26 -9.72 66.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -93.99 161.9 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.9 mm -102.14 99.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.448 HD22 ' CE1' ' A' ' 75' ' ' HIS . 21.6 mt -69.11 163.46 24.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 24.0 mtpt -129.79 166.43 19.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.4 p-10 -59.89 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.432 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 4.3 t30 -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 67' ' ' LYS . 27.0 mt-10 -55.26 160.68 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.16 150.09 51.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.27 -55.91 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.98 -46.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.24 -31.05 13.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.448 ' CE1' HD22 ' A' ' 66' ' ' LEU . 97.0 m-70 -84.82 -28.74 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.03 57.91 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.98 121.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -86.17 155.7 57.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.5 48.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 62.36 39.97 11.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -118.33 163.94 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.7 mt -107.58 118.73 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.98 -175.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -142.1 122.29 13.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.4 m -128.25 171.8 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -133.28 153.17 51.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 57' ' ' LEU . 72.1 mt -129.79 137.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.5 p90 -163.29 167.55 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -114.72 142.25 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -67.25 -31.54 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.46 ' ND2' HD11 ' A' ' 94' ' ' LEU . 6.1 t30 -132.12 85.3 50.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -11.0 29.83 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.71 -31.46 61.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.46 HD11 ' ND2' ' A' ' 91' ' ' ASN . 45.5 mt -96.99 -51.83 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.46 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 39.4 m-85 -126.69 81.29 69.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.684 0.754 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 153.89 68.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.3 t -96.58 141.3 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -132.27 169.56 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.48 140.24 52.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -72.05 97.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -102.49 111.57 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -79.29 128.47 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.17 123.43 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.8 t -120.96 128.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 37.9 mt -80.44 126.96 31.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.502 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -70.52 -58.69 4.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.73 -34.81 13.91 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -85.94 -46.52 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.4 83.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.67 153.62 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -111.22 140.75 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 30' ' ' VAL . 80.0 mt -136.19 153.15 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.455 ' N ' HG21 ' A' ' 29' ' ' ILE . 85.4 t -132.98 113.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.56 128.59 10.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 124.87 11.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.8 t80 -126.37 135.8 51.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -62.8 133.43 54.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -73.71 -37.95 50.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.54 35.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.4 m -137.19 139.62 41.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.56 HD13 ' CD2' ' A' ' 41' ' ' TYR . 2.5 pp -51.55 169.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.1 mt -91.53 -28.12 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.0 tttm -33.14 -71.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.56 ' CD2' HD13 ' A' ' 38' ' ' ILE . 42.0 m-85 -36.48 -64.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 23.2 tp -48.17 -36.32 13.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' LYS . 25.5 ttmt -68.6 -60.04 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.85 -25.59 20.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -62.77 -38.09 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -89.33 -33.37 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 3.7 p -58.42 -58.63 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.649 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.6 p80 -57.75 -53.85 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.649 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -51.79 -58.4 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 mt -57.68 -20.44 33.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.51 5.16 75.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.76 151.18 46.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.28 57.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.45 -19.41 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -53.15 -38.07 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 57' ' ' LEU . 33.0 m -90.46 -45.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.454 ' N ' HG21 ' A' ' 56' ' ' VAL . 3.3 tp -66.81 140.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -141.79 171.68 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 60' ' ' ARG . 20.1 mt -128.62 147.12 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.416 ' N ' HG21 ' A' ' 59' ' ' ILE . 9.8 ttm180 -122.7 139.6 53.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -154.93 130.47 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 58.44 25.15 12.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.07 5.45 75.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -119.19 139.21 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.711 0.291 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.39 116.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.54 161.75 26.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HB3' ' CG ' ' A' ' 70' ' ' GLU . 32.6 tttm -112.75 165.25 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -71.15 -49.58 42.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -69.41 -2.92 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.406 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 24.2 mm-40 -83.87 160.07 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.44 148.2 45.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.91 -44.95 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 m -65.58 -26.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.71 -25.62 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -92.21 -39.98 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.92 61.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t -131.34 133.71 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -103.3 157.61 33.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 147.71 63.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 58.5 44.38 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -121.13 168.28 11.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.7 mt -116.71 124.81 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 m -128.39 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -145.34 115.48 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.26 145.98 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -108.37 138.83 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.9 mt -111.15 142.99 21.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 3.5 p90 -164.64 163.34 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 t -114.78 142.86 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.4 p -73.64 -37.22 65.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -111.23 80.84 2.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -36.47 10.75 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.08 -39.0 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.28 -51.73 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -125.64 80.93 65.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.81 28.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.45 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 40.6 t -74.76 118.5 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.19 177.81 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.8 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.1 156.73 46.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 m -85.91 108.79 18.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -109.33 101.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.26 129.64 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.43 131.38 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.28 131.44 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.482 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 55.8 mt -84.43 127.05 33.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.506 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -72.51 -58.2 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.709 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -22.25 32.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.637 2.224 . . . . 0.0 112.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.7 t -101.73 -57.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 99.02 6.22 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.06 148.75 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -106.33 131.19 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -127.79 150.47 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.47 126.25 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 6.5 tt -153.23 135.96 9.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.71 139.97 41.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 7.4 t80 -148.23 154.56 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 4.9 mptt -80.94 138.26 36.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.1 m -83.89 -22.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.65 9.98 42.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 38' ' ' ILE . 52.6 m -115.93 140.25 49.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.569 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.6 pp -47.46 172.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.6 mt -91.48 -29.23 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 43' ' ' LYS . 20.0 tptt -32.14 -71.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CD2' HD11 ' A' ' 38' ' ' ILE . 44.1 m-85 -34.07 -45.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 19.1 tp -70.59 -43.43 69.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 40' ' ' LYS . 8.2 ttmm -53.37 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' HIS . 38.3 m-20 -48.32 -49.08 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' ASP . 3.7 t60 -34.61 -39.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 45.0 m-85 -90.82 -55.09 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' PHE . 15.3 m -37.04 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.4 p80 -46.3 -54.19 9.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.655 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.52 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.61 -26.87 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.85 17.05 49.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 33.7 pt -122.43 151.53 59.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.21 47.54 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -67.0 -12.26 59.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -57.54 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.3 m -73.21 -36.36 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 tp -69.9 139.63 53.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -137.33 169.07 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.6 mt -131.43 123.94 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -109.52 131.71 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -138.81 125.35 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t 55.45 29.41 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.45 15.4 81.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.08 155.97 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -97.01 102.21 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -69.83 -177.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -164.92 178.6 7.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.509 ' ND2' ' C ' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -68.96 -71.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.57 -26.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 148.24 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.54 161.63 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.43 -44.5 91.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.73 -21.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -76.43 -25.82 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -91.69 -21.28 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.76 52.13 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.2 t -125.56 135.86 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.06 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -107.67 160.58 26.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.519 0.676 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.19 59.25 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 62.62 41.14 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.45 161.71 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.52 134.03 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.93 -177.49 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -144.04 119.89 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.82 162.37 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -121.87 139.7 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.9 mt -117.96 140.99 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.8 p90 -163.46 173.3 13.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 t -119.65 135.88 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.1 p -63.75 -36.84 85.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . 0.443 ' ND2' HD11 ' A' ' 94' ' ' LEU . 3.9 t30 -128.33 86.96 56.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -17.53 37.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.22 -37.82 81.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.443 HD11 ' ND2' ' A' ' 91' ' ' ASN . 30.2 mt -90.04 -53.35 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.438 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 27.1 m-85 -126.95 78.61 73.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.682 0.753 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 141.06 44.04 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.469 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 42.8 t -77.13 142.65 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.403 ' N ' HG11 ' A' ' 97' ' ' VAL . 12.2 ptm180 -121.15 -176.39 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p -115.91 131.7 56.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -144.61 111.53 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.36 -60.74 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -42.52 128.34 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -163.57 126.97 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.87 -148.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -128.7 123.56 33.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -171.51 118.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.1 t -125.82 83.79 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -151.76 164.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.17 40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -81.42 -32.39 32.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 m -109.97 -43.72 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 mt -44.63 133.67 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -121.19 163.29 18.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -87.26 110.92 20.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.95 109.72 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -81.93 136.76 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 63.2 t -116.75 131.65 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.96 127.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD11 ' CG2' ' A' ' 25' ' ' VAL . 34.7 mt -77.25 127.6 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.511 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.6 mm -70.93 -58.38 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.688 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.73 -33.88 15.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.749 2.299 . . . . 0.0 112.317 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' CG2' HD11 ' A' ' 22' ' ' LEU . 2.6 t -87.03 -46.86 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.52 83.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.12 174.07 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -129.6 129.5 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.0 mt -136.29 132.53 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -113.29 131.29 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.47 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 3.5 tt -151.8 136.39 10.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.75 135.5 30.63 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -141.62 143.55 33.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -73.66 142.22 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.3 m -79.56 -18.18 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -92.39 -21.38 20.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.2 m -83.58 132.81 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.4 pt -52.3 166.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 66' ' ' LEU . 14.0 mt -73.97 -43.72 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.5 ttpp -35.33 -60.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -36.0 -48.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 24.5 tp -71.36 -36.53 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.6 ttpp -67.52 -65.96 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' LYS . 22.3 t70 -34.92 -32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LYS . 5.3 t60 -60.88 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -50.32 -34.81 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -56.34 -68.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.2 p-80 -49.14 -54.75 14.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.663 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.3 tm? -49.61 -53.92 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.6 mt -64.83 -26.4 68.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.02 12.85 59.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.5 pt -118.79 149.51 46.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.445 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.6 Cg_endo -69.74 160.08 51.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -85.32 -16.95 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -55.28 -23.84 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.4 m -106.82 -31.77 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.3 tp -79.6 136.5 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -138.48 179.83 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.7 mt -130.14 159.19 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -136.9 138.91 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -150.08 125.3 10.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.3 p 56.29 38.73 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.22 20.77 69.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -120.57 162.99 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 40.0 mm -103.27 102.77 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 61.3 mt -74.14 141.99 45.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -97.11 162.09 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -62.84 -55.54 25.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.77 -5.79 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.66 156.75 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.97 158.97 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 2.5 mm? -65.51 -43.69 89.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.7 m -63.35 -19.63 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.5 -33.16 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.449 ' CD2' HD23 ' A' ' 66' ' ' LEU . 12.5 m-70 -86.23 -18.94 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.88 60.16 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.69 126.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.473 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 20.6 mmtp -95.48 160.73 29.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.6 Cg_endo -69.66 153.91 68.78 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 58.82 43.79 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -126.3 163.19 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.87 134.9 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.4 177.71 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -139.98 124.58 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.4 153.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.7 mt -119.81 146.58 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.9 p90 -166.77 164.28 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 t -116.24 134.34 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.1 p -61.92 -40.35 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -111.66 81.75 3.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -36.15 11.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -61.95 -36.81 82.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 mt -89.79 -52.67 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.445 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m-85 -125.58 80.63 65.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.713 0.768 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.3 60.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.458 HG12 ' CD2' ' A' ' 22' ' ' LEU . 48.0 t -97.13 125.76 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -112.93 175.01 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.441 ' HG3' ' CG1' ' A' ' 25' ' ' VAL . 44.8 mtm180 -76.64 154.45 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.3 mm -80.85 150.37 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -125.35 142.31 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.27 -45.61 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.3 tp -130.63 158.31 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.7 m -123.61 103.25 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -101.87 165.11 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 m -137.42 155.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -143.56 175.68 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -138.21 170.03 16.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 6.9 tt -174.15 160.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -160.39 149.17 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -148.0 147.72 29.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.3 t -97.36 134.48 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.1 t -88.5 172.08 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.52 145.44 27.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -175.66 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.1 t -63.69 -178.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.4 m -90.33 -58.9 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -73.69 99.44 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -172.05 139.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.79 147.46 13.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -58.42 141.28 51.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -56.46 -48.02 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.55 67.29 2.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -71.1 111.27 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -81.64 -51.72 7.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m 55.91 54.54 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.25 115.97 48.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -98.31 88.77 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.1 116.45 4.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m 63.79 43.43 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -88.23 144.13 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.69 149.29 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.4 m -79.16 98.34 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.84 114.61 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -88.21 138.16 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -121.68 130.74 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.9 t -123.95 128.54 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 41.6 mt -78.44 126.45 30.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.507 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.8 -58.4 3.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.671 0.748 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.8 -21.26 33.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -103.16 -58.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 103.24 -5.1 48.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -70.04 156.11 39.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -111.95 136.88 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.13 139.39 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.02 125.71 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -149.1 133.65 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 127.2 14.28 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.351 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 4.3 t80 -128.0 141.08 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -80.47 122.02 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.5 m -58.38 -22.84 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 p30 -89.56 -9.06 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.7 m -94.29 125.18 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -46.78 167.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 15.0 mt -74.98 -40.48 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 30.1 tttp -36.58 -57.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.0 m-85 -36.29 -58.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.552 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.3 tp -58.09 -41.62 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -56.67 -52.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.595 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.3 t60 -48.89 -34.78 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 37.0 m-85 -91.12 -64.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' PHE . 2.0 t -34.53 -50.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.698 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.0 p-80 -61.56 -52.53 64.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.698 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -60.25 -62.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.3 mt -48.82 -24.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.36 -26.09 24.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 28.8 pt -83.9 151.04 60.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.473 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.8 Cg_endo -69.8 148.9 65.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -69.88 -16.69 63.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -53.33 -59.93 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.2 m -70.18 -40.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.38 138.61 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.24 166.46 25.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.458 ' CG2' ' N ' ' A' ' 60' ' ' ARG . 94.1 mt -120.94 159.61 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' N ' ' CG2' ' A' ' 59' ' ' ILE . 12.1 ttp180 -135.58 127.22 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -142.87 125.32 15.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t 68.75 29.68 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.78 2.09 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 145.12 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.6 mm -79.98 123.59 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -88.91 178.97 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -133.04 179.23 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -75.94 -60.06 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -57.05 -12.74 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.28 138.85 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -113.31 149.06 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.418 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 2.4 mm? -55.26 -48.11 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.8 m -60.31 -34.77 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.87 -26.98 68.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -87.08 -28.08 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.36 51.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.5 t -123.61 127.32 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.372 . . . . 0.0 111.106 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.463 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 28.9 mmtm -101.22 160.73 25.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.549 0.69 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.463 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 53.7 Cg_endo -69.78 149.43 66.76 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 66.07 44.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -129.52 160.19 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mt -111.17 125.27 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.75 175.75 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -140.39 128.13 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.3 m -135.27 148.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.42 138.22 48.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.1 mt -111.08 141.68 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -158.74 174.0 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -126.67 135.17 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -68.81 -39.57 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -109.78 81.02 1.83 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.63 24.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -40.6 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.0 mt -86.78 -50.45 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.473 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 28.9 m-85 -127.53 79.44 73.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 154.97 66.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.461 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 60.2 t -93.44 140.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -123.56 -179.98 4.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -97.63 155.16 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 65.1 mt -130.34 133.52 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -123.96 90.04 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -103.24 -15.02 24.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -138.54 158.75 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.92 0.39 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -69.18 146.15 52.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -88.04 171.57 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.1 p -100.79 119.86 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.0 m -166.77 174.65 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -105.29 -36.05 7.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 9.7 tp -169.86 146.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' THR . 4.6 tp -136.42 138.4 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 110' ' ' ILE . 3.8 p -34.75 -72.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.7 m -58.12 168.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.1 m -115.35 139.24 50.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 161.11 -86.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -8.93 24.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.7 t -88.28 138.53 31.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.8 m -79.24 134.97 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -72.24 177.33 4.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -169.82 160.27 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.62 160.62 26.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -122.01 123.81 42.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.826 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 p -119.66 100.05 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.58 -64.59 0.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -96.32 61.21 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -77.69 -61.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.5 p -93.38 71.48 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.31 128.85 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -121.02 36.25 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -75.14 -47.05 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -106.51 46.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' GLN . 29.5 mt -120.74 127.37 51.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.69 132.38 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -69.57 102.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -102.78 110.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -84.78 121.0 27.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.6 t -101.71 141.49 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.29 131.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 59.9 mt -82.38 124.18 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -71.15 -58.28 4.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 -28.62 24.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.4 t -94.4 -56.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.45 -8.08 51.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.46 138.95 38.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 110.954 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 29' ' ' ILE . 19.4 tt0 -99.93 154.22 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 28' ' ' GLU . 55.9 mt -147.23 130.22 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.3 t -105.49 122.71 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 7.7 tt -143.65 136.11 13.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.669 0.747 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.73 118.74 5.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.5 t80 -119.75 153.7 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -88.77 136.53 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.43 -19.72 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -100.11 24.56 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 m -133.56 138.68 46.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.0 pt -52.16 156.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 9.4 mt -69.88 -34.55 73.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' TYR . 5.1 tmtm? -36.47 -56.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.5 m-85 -34.97 -59.13 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 9.7 tp -66.73 -39.26 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -51.26 -59.6 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 45' ' ' HIS . 2.7 p30 -56.32 -51.9 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 4.6 t60 -36.41 -38.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -87.79 -55.3 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.9 t -39.58 -59.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.669 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.9 p-80 -55.06 -55.12 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.669 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -49.69 -62.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 98' ' ' ARG . 17.4 mt -52.14 -24.98 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.24 5.3 72.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 pt -112.93 151.39 44.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.558 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.7 152.48 69.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -77.46 -14.81 59.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -56.56 -25.65 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.1 m -105.09 -32.59 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.455 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.4 tp -75.65 137.08 40.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -137.9 163.67 30.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.39 128.39 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.473 ' CZ ' ' OE1' ' A' ' 86' ' ' GLU . 18.0 ttp180 -109.97 130.56 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -136.04 127.69 28.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t 53.71 38.15 27.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.75 26.03 74.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -127.14 157.47 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.713 0.292 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.29 91.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 46.5 mt -60.93 161.18 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -125.56 -176.29 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -78.95 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.71 -21.81 42.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.53 132.37 47.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m -100.47 159.77 14.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.47 -51.37 60.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 m -57.46 -27.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.84 -35.96 81.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -83.75 -23.69 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.12 67.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.483 ' CG1' ' OE2' ' A' ' 81' ' ' GLU . 94.9 t -132.03 120.3 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -88.21 153.87 51.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.543 0.687 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.43 57.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' LEU . 94.3 mt-30 62.28 38.99 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.483 ' OE2' ' CG1' ' A' ' 77' ' ' VAL . 7.4 pt-20 -118.33 177.03 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.6 mt -122.76 133.38 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.92 -177.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -142.87 116.23 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.0 m -118.21 170.34 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 60' ' ' ARG . 35.0 mt-10 -132.14 138.8 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 57' ' ' LEU . 25.2 mt -119.39 139.72 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -165.03 167.98 17.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.8 t -114.86 134.17 55.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.1 p -62.8 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -119.34 80.93 21.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.568 0.699 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -15.32 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.85 -36.83 62.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.2 mt -92.23 -46.9 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.558 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 50.2 m-85 -128.54 80.6 72.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.758 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.75 48.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.9 t -86.08 118.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.428 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 4.8 mmp_? -109.07 148.37 30.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 6.7 ttp-105 -52.76 145.07 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.3 mm -73.77 110.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -60.82 143.04 55.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.98 -158.04 15.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 tt -41.93 136.0 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.1 t -134.71 161.3 35.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -122.75 136.5 54.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.4 p -46.76 118.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -161.75 137.03 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -145.95 127.01 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.0 pt -154.33 174.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.4 tt -165.16 146.12 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.1 p -138.1 145.54 41.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.79 93.79 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.9 p -129.61 123.07 30.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -106.77 82.41 0.32 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.54 27.33 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 117' ' ' SER . 28.5 t -167.62 149.98 5.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 116' ' ' SER . 47.8 t -35.78 122.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -163.56 173.84 12.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -140.52 175.79 9.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 -174.43 13.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -153.4 152.36 30.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 p -125.02 166.24 16.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.57 89.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -151.57 153.91 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.721 0.296 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.0 150.54 38.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -97.66 140.76 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 12' ' ' GLU . 60.5 t -137.85 138.42 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' N ' HG11 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -118.86 81.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.95 121.16 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.5 m 60.29 47.72 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.64 135.82 33.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.38 137.82 53.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -63.84 106.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.39 117.7 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -94.32 125.01 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.1 t -104.68 132.01 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.89 129.77 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 29.2 mt -81.55 125.39 30.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -70.04 -57.96 5.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.148 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.76 -33.24 16.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.4 t -88.12 -52.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.99 3.66 63.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -81.63 156.52 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -112.15 135.97 52.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.1 mt -132.72 140.72 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -117.37 125.69 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -152.43 134.07 8.33 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 119.73 6.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.6 t80 -122.06 148.4 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -81.53 138.18 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.1 m -83.64 -6.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -112.0 -0.33 15.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.5 m -104.11 124.92 49.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pt -40.6 142.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.83 -15.48 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -51.89 -47.4 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -45.98 -66.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -62.76 -42.61 99.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.75 -49.33 59.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -43.74 -36.54 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.47 -26.66 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -66.35 -38.39 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.666 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.6 p-80 -76.39 -54.72 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.666 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 1.5 tm? -50.16 -56.49 10.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 98' ' ' ARG . 41.8 mt -61.63 -41.37 97.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.22 -0.11 44.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.2 pt -104.24 150.61 38.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 139.34 39.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -58.9 -12.47 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -58.69 -55.84 29.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 m -74.11 -28.09 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 tp -80.35 135.9 36.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -136.38 171.33 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 60' ' ' ARG . 74.6 mt -127.13 140.94 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' N ' HG22 ' A' ' 59' ' ' ILE . 4.2 ttm180 -123.69 133.84 53.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -151.21 138.53 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 55.65 31.01 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.78 6.37 43.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -122.91 137.29 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.0 mm -73.06 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.0 mt -106.87 158.74 16.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -114.5 157.9 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -58.97 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -48.87 -22.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 157.4 22.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.65 170.83 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.15 -37.17 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.8 m -60.2 -41.57 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -64.71 -11.09 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -105.95 -14.13 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.42 64.09 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.55 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 46.8 t -138.75 136.4 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -106.1 156.16 37.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.57 43.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 73.93 44.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -126.96 168.4 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.3 mt -110.72 131.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -141.35 -177.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -146.49 117.94 7.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 6.4 m -123.6 144.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -103.1 159.53 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.9 mt -137.62 140.73 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -161.15 168.8 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 t -119.83 131.71 55.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.9 p -61.65 -28.67 69.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -123.02 81.89 50.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.43 25.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.58 -48.11 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.415 ' HB3' ' CD1' ' A' ' 95' ' ' TYR . 18.8 mt -79.43 -44.81 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.415 ' CD1' ' HB3' ' A' ' 94' ' ' LEU . 40.0 m-85 -134.41 81.9 47.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.56 41.59 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.429 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 56.8 t -103.18 130.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.402 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 37.7 mmm-85 -112.55 158.87 19.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -69.68 157.38 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 mm -94.86 116.86 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -56.21 138.18 50.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.88 137.83 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.71 127.55 31.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 p -124.12 157.23 35.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -108.79 64.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.2 m -103.69 159.83 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -154.63 133.69 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.17 94.82 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.6 pt -116.5 39.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 tt -163.51 160.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.8 t -89.04 50.92 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.07 127.34 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.1 t -111.78 161.81 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.16 81.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.72 37.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.8 m -122.11 148.27 45.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 t -115.14 -61.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -116.81 104.2 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 43.85 41.78 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.64 162.54 54.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -68.8 152.51 45.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -154.45 142.53 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.8 130.65 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -61.48 -48.23 82.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -76.03 132.74 40.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.9 p -107.69 150.05 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 12' ' ' GLU . 29.3 m -69.08 -38.09 77.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' VAL . 5.0 pt-20 38.31 44.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.92 -23.21 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.8 m -125.91 44.58 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.2 135.98 41.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.75 129.98 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -65.34 101.73 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.3 t -104.56 112.9 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -85.7 139.54 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.6 t -120.79 118.99 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -113.35 127.27 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 61.3 mt -75.49 126.37 30.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -70.87 -58.7 4.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -33.43 16.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -88.0 -52.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.51 -5.39 60.44 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.438 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -76.69 144.22 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -106.04 144.43 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 30' ' ' VAL . 64.9 mt -137.62 148.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.411 ' N ' HG21 ' A' ' 29' ' ' ILE . 84.9 t -122.22 125.03 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.463 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.9 tt -149.12 137.33 11.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.0 Cg_endo -69.77 141.68 45.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 6.2 t80 -146.44 151.02 36.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.73 127.13 34.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.6 m -68.82 -12.8 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 5.44 37.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.7 m -107.61 131.3 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.4 pt -51.49 144.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.407 HD21 ' CD1' ' A' ' 72' ' ' LEU . 9.3 mt -61.8 -23.69 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 2.6 tmtt? -46.01 -64.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.8 m-85 -34.51 -69.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 19.6 tp -43.96 -42.71 6.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 10.7 ttmt -44.17 -69.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -41.23 -46.4 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' ASP . 2.8 t60 -35.8 -47.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -90.97 -35.09 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -58.54 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.7 p80 -61.67 -54.18 46.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -51.14 -59.45 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.6 mt -53.83 -31.67 50.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.06 13.46 49.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -123.29 148.53 55.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.1 Cg_endo -69.78 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.236 . . . . 0.0 112.38 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -51.16 -19.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -53.51 -34.9 59.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.554 HG12 ' CD1' ' A' ' 95' ' ' TYR . 17.1 m -93.61 -23.97 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.446 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.2 tp -91.93 133.18 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -132.87 170.91 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.31 134.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -118.88 126.05 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.423 ' HB3' ' CD1' ' A' ' 66' ' ' LEU . 44.7 t80 -136.66 142.67 43.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m 58.95 29.19 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 7.23 57.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -122.65 147.65 46.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mm -79.68 125.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.423 ' CD1' ' HB3' ' A' ' 61' ' ' TYR . 3.6 mt -93.94 173.38 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -118.27 -178.51 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -86.72 -48.05 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -69.97 -8.91 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.45 166.93 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 m -135.77 147.41 48.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.407 ' CD1' HD21 ' A' ' 39' ' ' LEU . 3.2 mm? -60.56 -42.68 97.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.5 m -65.62 -30.51 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -72.42 -28.91 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.47 -34.76 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.87 54.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 60.6 t -128.17 131.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.113 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 26.1 mmtm -103.7 160.81 24.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.465 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.2 Cg_endo -69.72 145.59 57.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.383 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 66.51 51.95 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -133.33 166.19 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.7 mt -116.54 127.34 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 m -128.98 -178.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -145.94 114.93 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.6 m -124.65 146.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -108.36 135.52 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.446 HG23 ' CD1' ' A' ' 57' ' ' LEU . 40.6 mt -107.74 143.22 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.0 p90 -164.66 168.24 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -114.77 143.47 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -72.59 -33.35 66.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 94' ' ' LEU . 11.1 t-20 -124.25 81.29 58.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.27 37.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.0 -38.89 69.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.456 HD11 ' ND2' ' A' ' 91' ' ' ASN . 13.7 mt -91.84 -47.45 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.554 ' CD1' HG12 ' A' ' 56' ' ' VAL . 44.8 m-85 -128.22 80.69 71.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.709 0.766 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 150.55 68.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.25 136.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -117.61 -174.96 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.69 152.83 18.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.55 92.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 40.44 43.17 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.16 -170.91 0.54 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 26.1 mt -133.55 140.42 47.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.4 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -132.38 -43.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.8 142.2 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -133.87 147.25 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t -94.55 -54.08 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -143.74 125.72 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.4 tt -145.96 121.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 7.1 tt -161.95 155.02 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 66.3 m -103.12 144.25 31.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.27 134.77 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.5 p -54.31 164.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.33 -171.17 12.9 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -170.1 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.9 p -145.1 178.28 8.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.3 m -130.26 177.67 7.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.7 t -35.7 -44.47 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.871 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 p -40.93 156.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.44 172.73 55.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -127.21 147.07 50.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.805 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -156.49 172.23 18.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.94 117.59 0.78 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -96.87 118.07 32.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -136.33 153.29 51.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.3 m -69.43 -59.66 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.1 t -44.01 136.48 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -122.18 131.7 54.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -109.87 74.75 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 m 61.98 49.29 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' CD2' ' HD3' ' A' ' 34' ' ' LYS . 10.5 mt -88.9 144.27 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.454 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -128.09 138.89 52.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -68.91 105.96 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -108.5 111.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -84.44 146.43 27.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.4 t -125.59 124.17 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.3 t -119.11 126.73 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 38.0 mt -77.61 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.78 -58.41 3.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 111.169 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.8 -22.57 31.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.3 t -101.48 -58.39 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 102.77 -1.29 48.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -76.01 147.3 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -103.33 140.21 37.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -136.49 137.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.0 t -117.1 128.58 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.424 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 5.1 tt -155.15 135.48 8.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.77 134.05 27.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.1 t80 -137.5 154.62 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 34' ' ' LYS . 1.4 mppt? -87.62 131.55 34.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 16' ' ' ALA . 22.6 m -73.79 -22.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -85.2 -26.78 26.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.8 m -82.63 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 pt -48.15 175.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 66' ' ' LEU . 20.8 mt -82.21 -30.41 30.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.7 ttpm? -44.27 -58.09 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.7 m-85 -34.92 -59.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.8 tp -64.28 -41.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -47.27 -69.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -42.94 -48.22 5.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.588 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.09 -39.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -86.61 -47.44 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 p -47.98 -48.92 32.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.658 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.5 p-80 -65.88 -54.6 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.658 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -52.17 -62.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.84 -25.81 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.05 27.92 27.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -136.85 152.38 74.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 143.08 49.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -71.04 -7.59 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.5 t -61.22 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.2 m -84.15 -32.23 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.23 137.98 39.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -139.64 163.17 33.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.74 148.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -121.16 134.71 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.412 ' CB ' HD12 ' A' ' 66' ' ' LEU . 70.8 t80 -149.73 125.39 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p 53.15 43.21 31.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.97 19.3 58.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -118.58 158.99 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -102.56 90.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 61' ' ' TYR . 62.7 mt -57.63 162.23 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -124.33 -175.95 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -80.39 -41.01 25.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.8 -13.68 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.38 148.95 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 m -125.02 146.22 49.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -69.0 -33.4 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -63.31 -31.49 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -84.87 -32.51 23.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.59 55.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.5 t -125.58 125.21 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 111.163 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.0 157.06 37.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 153.13 69.43 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.76 37.53 9.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -121.74 163.85 18.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -112.68 123.01 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 m -122.24 176.24 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -145.18 114.07 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.45 162.55 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -122.32 133.98 54.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 88' ' ' PHE . 36.1 mt -107.08 144.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.7 p90 -162.35 174.49 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 t -119.34 128.46 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -53.84 -40.97 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -127.11 86.29 59.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.84 33.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -73.17 -28.63 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.59 -51.71 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -125.0 78.66 66.02 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.707 0.765 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.26 63.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.458 ' CG1' HD22 ' A' ' 22' ' ' LEU . 97.4 t -92.37 151.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -134.5 166.69 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 -84.31 158.31 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' ASP . 72.8 mt -125.26 89.59 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' ILE . 8.0 t70 -36.11 140.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -174.04 -134.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.1 tp -141.36 115.16 9.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.3 p -85.7 147.84 26.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -140.12 105.85 5.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.39 134.54 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.4 m -132.95 121.27 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -132.36 -34.84 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 6.3 tt -78.92 107.73 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 16.5 tt -173.0 162.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.0 t -138.39 160.58 39.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.428 HG21 ' N ' ' A' ' 113' ' ' SER . 8.7 p -129.09 141.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.428 ' N ' HG21 ' A' ' 112' ' ' VAL . 8.3 t -43.09 141.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.9 -163.4 11.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -174.52 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 m -169.75 175.86 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 118' ' ' GLY . 1.7 t -88.64 162.41 16.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 117' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -63.54 96.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -62.41 99.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.61 168.43 0.61 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -75.87 100.84 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -100.42 149.61 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.27 95.59 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -96.44 104.66 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 0.0 110.943 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -132.05 145.74 51.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.0 p -145.35 156.36 43.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.4 t -88.95 130.47 38.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -143.84 139.71 29.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -78.89 -17.82 54.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.0 m -93.88 44.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.38 131.45 56.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.12 128.4 56.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -60.54 101.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -107.92 111.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HE2' ' CG2' ' A' ' 82' ' ' ILE . 38.6 mtmt -85.33 128.69 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.1 t -110.92 129.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -122.95 130.51 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 26' ' ' GLY . 37.9 mt -78.92 125.23 29.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.508 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -71.37 -58.26 3.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -17.23 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.362 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -108.47 -58.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 105.47 -3.85 40.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -73.49 146.54 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.723 0.297 . . . . 0.0 110.953 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 29' ' ' ILE . 3.1 tp10 -109.06 144.53 36.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 43.8 mt -141.22 132.34 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.83 122.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 2.6 tt -147.58 136.98 11.87 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.464 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 15.5 t80 -129.94 149.92 51.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -80.48 144.39 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 m -86.06 -11.79 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -102.26 -24.66 13.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ILE . 41.9 m -81.54 108.68 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 37' ' ' THR . 0.2 OUTLIER -34.78 152.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' CD1' ' CD ' ' A' ' 70' ' ' GLU . 6.9 mt -66.06 -18.25 65.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -41.86 -41.49 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -65.74 -55.89 14.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.5 tp -57.42 -16.47 9.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -82.8 -59.45 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -41.1 62.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.6 t60 -47.74 -57.19 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -71.72 -41.83 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.522 ' HG ' ' N ' ' A' ' 54' ' ' HIS . 1.1 t -50.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.662 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.0 p-80 -53.51 -54.87 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.662 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.7 tm? -47.45 -61.03 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.28 -23.29 35.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.67 10.84 66.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 pt -117.21 152.21 48.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.54 65.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.522 ' N ' ' HG ' ' A' ' 47' ' ' SER . 15.7 p80 -71.37 -17.21 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -53.44 -55.84 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.8 m -74.09 -41.65 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tp -69.32 132.95 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -134.32 177.89 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -131.99 148.22 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -130.43 128.42 41.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -146.09 139.91 26.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t 56.15 27.49 11.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.5 69.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -127.45 136.68 52.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -69.03 105.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.9 mt -66.75 -177.93 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -130.91 -175.35 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.83 -33.94 8.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 1.9 t30 -91.08 -2.09 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -79.81 -175.02 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.407 ' N ' ' CD ' ' A' ' 70' ' ' GLU . 0.6 OUTLIER -146.4 142.9 28.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.26 -45.45 84.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -56.98 -31.74 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.13 -22.35 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -93.49 -27.21 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.42 63.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.416 HG11 ' CD ' ' A' ' 81' ' ' GLU . 87.1 t -134.88 132.22 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -99.84 156.54 35.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 149.98 67.7 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.65 2.234 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 63.23 37.95 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.416 ' CD ' HG11 ' A' ' 77' ' ' VAL . 7.2 pt-20 -118.4 165.74 13.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CG2' ' HE2' ' A' ' 19' ' ' LYS . 60.9 mt -111.19 130.25 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -137.59 176.83 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -133.16 124.73 28.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.5 m -130.78 149.91 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -116.36 139.48 50.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -115.46 142.72 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.1 p90 -166.6 171.77 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.54 45.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.6 p -68.38 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.47 ' ND2' HD11 ' A' ' 94' ' ' LEU . 5.7 t30 -131.36 86.49 50.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.54 28.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.311 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.33 -35.89 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.47 HD11 ' ND2' ' A' ' 91' ' ' ASN . 44.1 mt -93.57 -51.1 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -127.9 82.65 67.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.714 0.769 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.34 66.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.402 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 58.9 t -95.73 143.19 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -133.44 165.91 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.38 154.39 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mm -82.37 139.92 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -39.82 -56.15 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 105.73 48.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 102' ' ' GLY . 1.4 tt 37.63 31.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 102' ' ' GLY . 9.9 t -123.18 123.8 41.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -64.51 -56.28 15.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.7 p -59.14 126.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -149.64 166.21 29.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -137.68 140.51 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.8 pp -119.84 155.17 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.1 tp -171.08 126.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 p -53.31 128.11 27.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.05 138.47 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.9 p -57.14 101.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 150.08 143.82 3.82 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 102.19 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.32 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 t -170.71 134.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -117.81 159.38 23.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.806 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 49.4 42.88 23.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -130.17 165.08 23.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.72 154.36 22.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -89.88 -54.27 4.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -128.4 144.54 51.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.58 -167.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -85.62 -59.7 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 110.922 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -97.49 124.7 41.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -63.3 131.62 48.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' GLU . 95.7 t -121.93 -45.98 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' VAL . 7.0 pt-20 35.76 43.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -115.75 -59.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.4 m -60.16 -24.91 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.75 151.86 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -73.41 90.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.85 107.6 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 mtmm -82.65 146.89 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.58 147.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.66 131.39 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.475 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 77.1 mt -86.32 123.07 31.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.51 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.43 -58.11 4.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 0.0 111.113 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.71 -18.23 37.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.475 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -107.43 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 104.76 -3.15 41.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -73.1 153.87 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -112.34 130.98 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -130.75 131.89 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.7 t -112.0 128.33 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tt -149.45 133.48 8.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 116.66 4.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.5 t80 -116.54 153.73 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -81.83 132.14 35.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.33 -25.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.21 33.43 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.2 m -137.69 131.65 31.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 pt -46.79 145.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.27 -13.99 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -49.66 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -42.83 -59.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.14 -34.27 77.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -54.97 -73.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -44.81 -35.0 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -52.44 -55.95 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -72.84 -37.72 67.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -53.2 -66.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.8 p-80 -53.4 -55.01 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.0 -25.11 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.2 3.59 61.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.9 pt -117.39 151.73 48.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.723 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.354 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -87.93 -11.83 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.4 t -64.16 -16.95 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.5 m -114.87 -20.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.8 tp -90.33 147.07 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -146.2 174.93 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mt -134.23 132.43 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -109.81 126.38 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -140.15 125.41 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m 62.98 26.07 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.814 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.48 -7.56 61.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -113.8 142.05 46.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mm -77.87 143.59 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.6 mt -116.04 140.48 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -103.59 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 68' ' ' ASN . 7.1 p-10 -64.5 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -40.87 -28.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -78.8 142.12 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -114.88 158.33 22.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.36 -45.67 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.09 -22.76 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.76 -21.01 52.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -96.71 -14.4 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.84 56.77 0.55 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.473 ' CG1' ' OE2' ' A' ' 81' ' ' GLU . 87.8 t -129.62 132.44 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 27.1 mmtt -106.27 160.8 24.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.0 Cg_endo -69.75 150.52 68.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 61.62 41.55 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.473 ' OE2' ' CG1' ' A' ' 77' ' ' VAL . 7.8 pt-20 -124.35 160.36 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.5 mt -109.35 131.25 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.12 178.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -140.75 121.33 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -129.52 151.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -113.91 145.02 42.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 88' ' ' PHE . 51.8 mt -121.92 142.65 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 6.1 p90 -166.67 159.9 14.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -108.34 139.44 43.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.3 p -70.09 -36.26 74.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -113.36 80.84 4.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -20.19 34.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.15 -33.7 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.2 mt -94.74 -44.56 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -132.3 80.96 62.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.683 0.754 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.4 57.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.344 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.402 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 95.0 t -98.99 145.46 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -126.13 163.06 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.4 157.48 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.1 mt -135.09 124.08 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.38 140.03 57.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.79 -179.39 3.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.07 -64.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.418 HG21 ' CG2' ' A' ' 106' ' ' VAL . 0.7 OUTLIER -69.35 -43.79 72.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 74.03 54.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.418 ' CG2' HG21 ' A' ' 104' ' ' THR . 0.9 OUTLIER -152.84 154.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -156.81 165.11 37.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -152.58 169.74 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 19.0 tt -163.75 147.04 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 111' ' ' THR . 7.3 tp -156.28 149.38 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.463 ' N ' HG13 ' A' ' 110' ' ' ILE . 13.8 t -148.27 162.48 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.29 151.96 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 76.4 p -172.94 148.0 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -175.03 148.75 9.8 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -173.54 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.7 p -159.94 158.83 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.1 m -89.77 -61.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.511 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -97.39 117.78 32.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 41.11 42.5 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.19 129.2 2.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -117.4 153.8 32.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.382 . . . . 0.0 110.886 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 m -153.84 161.24 42.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.63 -170.86 30.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -99.79 -46.76 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -77.95 131.33 37.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -108.01 110.79 22.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -82.95 80.52 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -76.38 65.42 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.41 -33.7 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 m -130.33 26.61 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.2 mt -93.63 126.38 38.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.06 133.04 53.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.1 m -65.96 108.81 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.6 t -110.08 101.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -76.7 127.48 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 85' ' ' VAL . 85.6 t -115.57 145.8 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 94.6 t -135.35 126.13 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 32.8 mt -75.63 128.14 34.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.496 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -70.63 -58.6 4.42 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.183 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.8 -37.48 9.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.627 2.218 . . . . 0.0 112.372 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.8 t -81.94 -40.17 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.37 4.25 88.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.448 ' NE2' ' HD3' ' A' ' 99' ' ' ARG . 5.0 tt0 -90.4 142.65 27.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -90.53 150.62 21.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -145.36 126.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.53 120.19 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 tt -146.16 132.05 9.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 14.7 t80 -122.18 158.77 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -89.81 128.8 36.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.2 -28.82 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.87 14.45 7.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.421 HG21 ' N ' ' A' ' 38' ' ' ILE . 55.4 m -124.08 134.91 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.421 ' N ' HG21 ' A' ' 37' ' ' THR . 9.2 pt -48.47 152.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 mt -66.62 -27.97 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -42.09 -61.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' LYS . 13.4 m-85 -36.08 -60.26 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.7 tp -55.72 -40.74 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LYS . 26.0 ttmt -60.17 -45.84 91.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -59.02 -54.57 45.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 4.9 t60 -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -88.79 -43.74 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 p -48.71 -47.75 40.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.1 p-80 -67.2 -54.85 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.656 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -50.83 -61.23 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.32 -22.21 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.81 -16.42 58.34 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.5 pt -89.98 149.86 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.34 38.66 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -78.19 -18.75 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -53.06 -54.42 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.85 -43.09 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 tp -65.44 134.57 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -136.27 169.94 16.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.61 137.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -118.36 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -133.38 135.62 44.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t 54.99 28.52 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.59 13.73 83.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' CG ' HD21 ' A' ' 66' ' ' LEU . 4.6 ptmt -118.57 171.53 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.2 mm -109.87 102.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.454 HD21 ' CG ' ' A' ' 64' ' ' LYS . 20.3 mt -73.09 168.65 18.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.59 175.33 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.54 -58.16 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.53 -34.01 56.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.31 174.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -150.72 150.76 31.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.4 -47.0 87.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.7 -18.5 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -83.79 -19.01 35.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -97.49 -14.43 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.71 54.34 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.0 t -124.79 131.99 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -100.06 156.62 35.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.43 60.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.356 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 66.77 38.73 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.39 171.41 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.11 133.1 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.1 m -137.26 178.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -141.13 117.47 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.415 ' CG2' HG21 ' A' ' 20' ' ' VAL . 30.8 m -122.88 170.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -133.43 146.0 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.7 mt -124.02 134.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.9 p90 -161.47 154.98 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -103.63 132.83 49.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.8 p -65.2 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -109.38 79.42 1.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.73 34.33 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.91 -34.56 57.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.7 mt -92.29 -45.78 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -129.97 78.7 74.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.81 41.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.419 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 5.2 t -83.15 134.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -119.55 165.39 14.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 100' ' ' ILE . 0.4 OUTLIER -63.09 132.09 50.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.479 ' N ' ' HD2' ' A' ' 99' ' ' ARG . 25.6 mm -54.77 116.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -91.95 -176.28 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.52 -93.32 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.464 ' N ' HD21 ' A' ' 103' ' ' LEU . 4.3 mm? -69.61 108.38 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 t -76.05 157.38 33.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.56 -177.96 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.6 p -93.77 138.11 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 m -88.49 -53.58 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -157.51 150.78 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.9 pt -126.29 155.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.2 tt -159.79 151.14 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.9 m -121.24 155.33 34.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.5 p -128.72 144.59 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.9 p -128.33 170.04 13.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.0 146.26 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.538 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -173.8 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 76.6 p -164.0 168.53 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 118' ' ' GLY . 61.4 m -136.47 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 117' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -128.59 146.58 50.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -127.03 151.74 48.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.64 65.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -66.38 130.09 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -83.84 134.89 34.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.39 133.98 1.93 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -104.45 -59.68 1.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.742 0.305 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 10' ' ' SER . 35.6 tt0 -124.39 160.68 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.442 ' N ' ' HG2' ' A' ' 9' ' ' GLU . 16.7 m -87.84 175.94 7.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.4 t -129.38 119.9 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -84.18 88.66 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -159.6 137.07 9.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m 41.31 53.7 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -97.66 127.37 43.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.46 147.59 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -79.65 110.36 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -111.3 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -71.68 137.61 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.0 t -115.8 137.23 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.0 t -131.96 126.74 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 51.8 mt -79.87 127.04 31.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -70.86 -58.79 4.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.717 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.72 -34.44 14.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.64 2.227 . . . . 0.0 112.387 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -86.06 -54.7 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.01 10.7 60.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -88.38 143.37 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -92.35 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mt -143.36 132.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -111.38 129.55 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.474 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 8.1 tt -150.85 136.06 10.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.647 0.737 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.73 152.53 69.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 2.8 t80 -157.89 152.21 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 124.14 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.16 -17.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -12.79 26.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -94.5 130.05 41.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.4 pt -48.02 165.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.459 HD21 ' CD2' ' A' ' 72' ' ' LEU . 9.4 mt -76.1 -32.38 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.6 tmtp? -39.39 -59.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.2 m-85 -35.96 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.6 tp -55.32 -42.98 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -61.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.37 -44.35 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.529 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.63 -61.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -69.79 -54.8 11.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.28 -67.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.699 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.3 p-80 -45.97 -55.0 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.699 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 2.3 tm? -49.2 -62.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.16 -25.66 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.83 -13.33 62.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 13.2 pt -87.79 148.11 42.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 155.26 66.31 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -5.19 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 p -68.18 -59.28 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 95' ' ' TYR . 4.0 m -67.99 -28.57 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.413 ' CD1' HG23 ' A' ' 87' ' ' ILE . 6.2 tp -82.04 144.21 31.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.437 ' OE1' ' CG2' ' A' ' 90' ' ' THR . 11.0 mt-30 -145.18 175.45 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.13 131.7 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -113.42 125.37 54.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.449 ' HB3' ' CD1' ' A' ' 66' ' ' LEU . 80.1 t80 -140.68 130.3 24.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t 63.4 26.86 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.4 76.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 146.38 44.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.54 126.07 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.449 ' CD1' ' HB3' ' A' ' 61' ' ' TYR . 17.3 mt -91.31 130.69 37.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -78.91 159.01 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -67.47 -38.18 84.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -80.39 -4.08 52.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -84.43 134.5 34.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -99.03 150.09 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 ' CD2' HD21 ' A' ' 39' ' ' LEU . 3.5 mm? -56.08 -57.47 12.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.04 -46.49 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.9 -37.08 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -79.78 -18.75 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.83 63.75 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 79.1 t -131.84 124.2 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 111.079 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -91.56 158.05 41.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 151.86 69.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.298 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 60.18 43.06 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -122.81 166.82 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -113.29 126.84 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.5 m -130.45 -175.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -150.18 118.83 6.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.7 m -120.79 168.16 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -129.08 133.67 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.413 HG23 ' CD1' ' A' ' 57' ' ' LEU . 62.4 mt -112.79 128.84 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 10.3 p90 -150.82 163.08 39.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -108.7 136.76 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.437 ' CG2' ' OE1' ' A' ' 58' ' ' GLN . 69.3 p -64.32 -37.73 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -122.83 87.01 50.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.68 31.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.81 -28.6 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.8 mt -98.42 -49.1 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.467 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 26.8 m-85 -131.83 82.42 60.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.717 0.77 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 151.33 68.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.412 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 24.3 t -93.39 114.74 30.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -98.89 167.38 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 -79.33 169.32 18.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.9 mt -140.72 123.04 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.68 -47.52 72.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 40.76 -113.86 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.5 tp -86.85 121.34 29.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 m -40.93 132.23 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -54.73 151.89 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.38 115.06 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.1 m -162.15 176.9 10.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -109.39 100.87 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.7 pp -118.16 157.28 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 111' ' ' THR . 9.0 tt -170.34 145.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' ILE . 8.1 t -36.17 136.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 113' ' ' SER . 4.2 p -39.61 137.48 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.436 ' N ' HG23 ' A' ' 112' ' ' VAL . 70.8 p -153.7 160.61 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.97 179.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 110.49 2.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.2 p -158.58 174.45 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.9 m -93.34 136.57 33.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -120.19 138.9 53.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 m -80.73 137.66 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.73 160.65 22.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -135.92 144.39 45.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -161.6 -176.18 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.54 136.46 9.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -121.96 175.83 6.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -78.67 137.38 37.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 m -47.14 135.87 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.9 t -99.99 -55.45 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.177 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 44.45 42.74 5.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -120.47 -37.34 3.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -129.74 47.54 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -105.88 126.46 52.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -107.49 140.16 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m -69.18 112.12 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.04 100.61 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -79.4 122.39 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.9 t -103.83 136.37 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.9 t -125.97 128.08 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 26.4 mt -77.06 127.26 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -71.99 -58.36 3.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.8 -27.67 26.0 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.73 2.287 . . . . 0.0 112.29 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -94.79 -53.59 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.06 62.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -75.47 151.91 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -105.15 136.27 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mt -133.3 126.86 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.64 120.48 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.46 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.5 tt -141.81 136.89 15.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.76 122.87 9.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.333 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.538 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 3.2 t80 -131.46 154.21 48.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.38 150.49 20.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.2 m -89.06 -14.54 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -31.92 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 38' ' ' ILE . 18.7 m -83.26 139.11 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.458 ' N ' HG23 ' A' ' 37' ' ' THR . 7.9 pt -53.14 176.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.428 ' CD1' HD13 ' A' ' 66' ' ' LEU . 17.2 mt -86.22 -13.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' TYR . 31.0 ttpt -63.08 -54.91 30.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.4 m-85 -36.03 -53.48 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.538 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 18.8 tp -65.09 -40.89 95.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' LYS . 16.9 ttmt -50.35 -48.59 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -55.7 -45.5 77.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.596 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.4 t60 -44.72 -36.33 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 40.1 m-85 -90.71 -54.52 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' PHE . 23.1 p -37.13 -41.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.3 p-80 -77.15 -54.73 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -53.37 -62.59 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.53 -24.0 18.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.34 34.13 30.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 41.0 pt -138.68 150.88 67.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.91 22.28 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.28 . . . . 0.0 112.36 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -56.52 -13.47 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.3 p -57.42 -57.77 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m -72.06 -29.5 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' CD1' HG23 ' A' ' 87' ' ' ILE . 9.3 tp -79.37 135.44 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -138.49 163.77 31.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.2 mt -121.67 134.12 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -112.96 128.92 56.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -129.73 128.54 42.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t 58.3 24.96 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.61 -12.49 65.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -93.2 164.37 13.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.8 mm -103.65 107.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.428 HD13 ' CD1' ' A' ' 39' ' ' LEU . 4.8 mt -76.14 176.07 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -129.72 167.32 18.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -26.87 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -84.78 -25.63 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.16 128.81 37.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m -103.63 150.47 23.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.417 ' CD2' ' CD2' ' A' ' 39' ' ' LEU . 4.3 mm? -54.2 -47.55 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.6 m -66.77 -28.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -65.82 -27.37 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -92.91 -18.31 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.64 56.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.11 121.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.49 156.74 38.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.41 57.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.299 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 63.77 27.19 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -115.01 168.99 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.8 mt -120.26 132.86 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.4 m -134.4 -179.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -141.88 117.24 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.6 m -123.5 157.61 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -121.36 140.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.435 HG23 ' CD1' ' A' ' 57' ' ' LEU . 37.0 mt -117.91 134.35 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.4 p90 -153.05 167.63 28.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -111.2 127.0 55.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.2 p -54.66 -41.29 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.435 ' ND2' HD12 ' A' ' 94' ' ' LEU . 4.3 t30 -124.87 86.33 56.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.76 33.56 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.96 -26.94 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.435 HD12 ' ND2' ' A' ' 91' ' ' ASN . 25.0 mt -102.55 -48.27 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.414 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 47.6 m-85 -131.92 80.87 64.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 158.41 57.13 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.7 118.34 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -105.74 149.46 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -59.02 162.87 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt -129.43 119.44 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -49.61 138.8 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.86 -177.33 43.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.8 tp -169.07 120.03 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.2 p -123.22 141.08 52.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.72 93.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.83 -179.96 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.5 m -149.42 113.07 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -142.52 177.59 8.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 6.0 tp -171.87 125.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.6 tp -170.58 124.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.5 t -134.37 126.63 30.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.5 p -143.89 147.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 t -167.19 109.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -138.46 85.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.65 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -145.05 174.48 11.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.8 p -129.04 -176.43 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -159.79 173.72 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -80.77 57.82 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.36 -130.79 2.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -161.16 169.41 22.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 110.806 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -168.0 157.48 9.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.64 145.54 17.74 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 9' ' ' GLU . 75.4 mt-30 -132.8 165.28 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' GLN . 1.7 mp0 -34.77 138.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -75.51 98.83 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.7 t -114.27 111.82 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -120.16 68.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -126.02 -42.99 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -106.14 20.57 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.65 124.51 33.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.75 137.12 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -70.53 104.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.65 109.23 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -79.97 127.81 32.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.4 t -111.34 131.21 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 43.3 t -128.79 130.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 32.3 mt -80.6 128.2 33.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.512 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -70.83 -58.48 4.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -34.88 13.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.738 2.292 . . . . 0.0 112.294 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.8 t -85.72 -45.19 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.19 0.57 86.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -77.64 151.6 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -105.03 144.56 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 30' ' ' VAL . 43.3 mt -142.11 147.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.441 ' N ' HG23 ' A' ' 29' ' ' ILE . 59.2 t -124.46 125.14 69.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 tt -153.99 130.12 5.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.8 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.623 2.215 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 16.4 t80 -133.97 149.62 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -78.9 139.2 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.2 m -87.6 -5.76 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -111.27 5.85 20.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -113.13 128.93 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 36.8 pt -41.44 156.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.2 mt -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.3 ttpt -43.87 -54.64 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -38.13 -66.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.7 tp -58.21 -37.26 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -54.74 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -55.96 -42.99 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.593 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.0 t60 -39.06 -45.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 28.1 m-85 -82.09 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 46' ' ' PHE . 1.5 m -35.57 -61.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.687 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.4 p-80 -52.61 -54.46 32.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 1.7 tm? -51.33 -62.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.42 -16.97 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.57 -26.46 13.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.6 pt -77.02 150.92 81.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.608 0.718 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.528 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.4 Cg_endo -69.73 155.56 65.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -77.61 -16.82 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -52.62 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.421 HG11 ' ND2' ' A' ' 91' ' ' ASN . 35.1 m -70.0 -45.11 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.93 139.54 58.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -142.0 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 60' ' ' ARG . 23.1 mt -122.65 137.75 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' N ' HG22 ' A' ' 59' ' ' ILE . 5.9 ttm180 -117.28 136.35 53.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -154.39 135.4 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m 59.57 26.04 15.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.05 11.62 70.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.07 149.6 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 mm -85.77 121.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 mt -90.26 165.77 13.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -117.81 173.63 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -70.06 -68.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -49.49 -18.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -74.96 132.32 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.33 166.05 10.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.12 -45.44 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.8 m -58.17 -23.91 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -74.4 -34.68 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.82 -9.84 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 61.4 0.77 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.405 HG11 ' CD ' ' A' ' 81' ' ' GLU . 73.4 t -129.78 129.11 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -97.38 158.25 33.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.04 66.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 61.52 43.28 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' CD ' HG11 ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.26 161.34 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.61 129.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 -178.7 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -140.47 121.31 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.3 m -127.75 156.29 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -118.42 149.86 40.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 43.8 mt -124.83 140.89 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -164.07 157.45 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -101.28 130.13 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.6 p -56.26 -37.29 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.431 ' ND2' ' HB2' ' A' ' 94' ' ' LEU . 52.1 p-10 -126.52 90.6 49.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -25.07 29.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.39 -29.4 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.431 ' HB2' ' ND2' ' A' ' 91' ' ' ASN . 36.6 mt -96.84 -48.46 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.528 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 33.1 m-85 -132.22 81.71 60.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.698 0.761 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.18 64.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.4 133.53 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -117.34 178.41 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -76.82 167.45 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 101' ' ' ASP . 63.7 mt -141.38 135.9 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 100' ' ' ILE . 10.2 t0 -76.57 88.73 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.14 -105.43 2.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.83 114.52 12.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.9 m -105.61 110.86 23.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.35 -52.66 4.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.8 m -91.5 174.42 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 99.0 p -130.15 144.15 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -118.74 176.57 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.4 pt -114.74 -9.65 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 11.1 tt -68.21 154.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.8 t -52.0 139.77 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.33 132.98 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.7 m -123.66 156.41 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -173.86 154.58 19.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 170.61 16.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.4 p -170.96 171.89 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.7 m -106.03 176.61 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -76.36 -46.48 27.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 m 62.62 40.04 10.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.88 158.69 48.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -141.15 150.33 42.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -163.62 137.82 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.58 62.5 6.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -97.88 122.48 41.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.06 162.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -158.12 137.56 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.9 t -139.58 127.66 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.444 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 7.1 pt-20 -91.21 58.41 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.54 -48.71 5.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 m -124.6 50.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 12' ' ' GLU . 15.4 mt -91.48 127.08 36.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.5 143.03 45.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 m -77.14 110.72 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -110.27 110.59 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -82.01 128.49 34.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.24 133.22 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -126.73 126.17 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.469 HD13 ' CG2' ' A' ' 25' ' ' VAL . 28.9 mt -74.41 126.93 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.515 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -70.55 -58.2 4.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 111.185 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.77 -37.58 8.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.469 ' CG2' HD13 ' A' ' 22' ' ' LEU . 2.8 t -81.77 -53.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.98 6.07 59.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -84.37 161.86 20.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -115.35 141.85 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mt -142.9 128.89 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.0 121.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 tt -144.06 132.58 11.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.48 40.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.1 t80 -142.45 134.71 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.72 140.2 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.08 -37.25 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.45 33.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 38' ' ' ILE . 89.2 m -135.79 143.73 45.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.462 ' N ' HG23 ' A' ' 37' ' ' THR . 20.2 pt -56.36 172.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.9 mt -88.42 -33.53 17.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -36.03 -58.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.7 m-85 -36.48 -56.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.554 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.26 -35.21 79.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' LYS . 13.7 ttmt -59.33 -61.33 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.7 m-20 -51.8 -47.54 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 44' ' ' ASP . 4.0 t60 -34.73 -43.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 33.0 m-85 -91.12 -54.12 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' PHE . 32.5 t -36.5 -52.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.668 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.6 p80 -67.49 -54.9 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.668 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -48.18 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -53.22 -23.12 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 18.13 60.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.3 pt -121.56 152.56 58.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.84 58.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -76.7 -13.86 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.6 p -57.5 -21.13 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.445 HG21 ' N ' ' A' ' 57' ' ' LEU . 33.9 m -110.55 -31.46 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.445 ' N ' HG21 ' A' ' 56' ' ' VAL . 5.9 tp -77.34 133.57 38.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -141.56 170.06 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.3 mt -120.93 148.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -124.52 125.21 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -140.83 136.23 32.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 t 56.09 25.18 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.89 8.78 78.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 153.99 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.726 0.298 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.1 mm -90.95 116.12 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.91 165.62 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 70' ' ' GLU . 48.8 mttt -124.87 127.99 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.9 p-10 -38.32 -65.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.9 -29.42 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 67' ' ' LYS . 9.0 tt0 -62.91 172.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.17 155.39 50.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -66.49 -37.83 85.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 m -65.61 -24.11 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -76.89 -25.17 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' CD ' ' A' ' 70' ' ' GLU . 85.1 m-70 -88.82 -31.84 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.37 57.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.4 t -124.14 139.87 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.168 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -109.49 157.02 38.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.47 47.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 65.66 47.32 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -122.83 178.2 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.3 mt -127.54 129.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.77 178.89 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -138.32 121.86 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.0 m -128.37 167.02 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -133.91 129.27 36.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 16.1 mt -101.01 145.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -166.75 171.71 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.8 t -113.59 138.65 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.6 p -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.462 ' ND2' HD13 ' A' ' 94' ' ' LEU . 16.1 t30 -126.46 82.73 65.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.34 -29.25 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.462 HD13 ' ND2' ' A' ' 91' ' ' ASN . 26.4 mt -98.21 -50.78 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -133.59 78.7 61.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.689 0.757 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 149.1 66.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.71 133.66 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -130.79 147.39 52.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.404 ' NH1' ' O ' ' A' ' 100' ' ' ILE . 0.1 OUTLIER -55.03 133.51 48.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.404 ' O ' ' NH1' ' A' ' 99' ' ' ARG . 77.6 mt -74.09 106.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' GLY . 0.8 OUTLIER -78.34 -43.98 26.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' ASP . . . -35.25 -52.99 0.96 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.7 mt -38.86 135.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -65.25 -28.69 69.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -64.89 109.53 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.811 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.0 m -100.36 166.44 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -131.49 162.96 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.23 34.32 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.4 tt -140.48 142.08 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.474 ' CD1' ' N ' ' A' ' 111' ' ' THR . 0.2 OUTLIER -163.29 129.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.474 ' N ' ' CD1' ' A' ' 110' ' ' ILE . 62.9 p -75.49 94.88 3.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.6 m -80.09 168.43 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 t -130.17 166.76 19.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.56 -158.07 28.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -176.99 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 t -141.94 177.59 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.2 m -45.2 120.45 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -113.51 -48.54 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -55.65 133.57 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.72 -168.65 12.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -156.73 140.27 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -116.57 132.61 56.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.08 154.03 22.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -66.86 165.81 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.309 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -90.37 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 p -71.46 -36.26 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.3 t -85.99 110.06 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -111.49 116.62 31.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -159.3 118.22 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m 59.96 40.01 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.89 139.77 41.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.03 136.79 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 112.23 4.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -113.6 111.54 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -88.3 130.43 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG12 ' CD1' ' A' ' 87' ' ' ILE . 85.8 t -108.03 137.35 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -128.82 127.16 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.482 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 24.4 mt -81.46 128.11 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.514 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -72.21 -58.29 3.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.145 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.5 Cg_endo -69.71 -18.18 37.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.374 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.8 t -106.4 -56.57 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 95.97 1.27 61.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -78.06 139.87 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.18 135.83 34.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.77 134.12 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.08 127.55 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -148.06 128.37 6.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 125.24 11.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.3 t80 -138.59 147.52 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -77.57 165.13 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.18 -15.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.163 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -108.66 30.49 6.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.1 m -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.564 HD13 ' CD2' ' A' ' 41' ' ' TYR . 2.8 pp -52.43 164.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' LEU . 12.1 mt -88.84 -28.07 20.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' CB ' HD11 ' A' ' 38' ' ' ILE . 23.6 ttpt -36.35 -34.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 38' ' ' ILE . 30.0 m-85 -68.59 -45.26 72.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.512 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 18.6 tp -73.0 -21.3 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -80.94 -48.22 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -58.82 -25.7 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.427 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.9 t60 -68.41 -48.94 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -73.85 -38.38 64.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -55.2 -64.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -50.53 -54.79 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.654 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -51.52 -61.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.92 -29.71 56.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.1 54.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 32.8 pt -93.98 152.09 40.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.758 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 153.81 68.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -75.62 -22.65 56.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 t -44.66 -47.36 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.423 HG21 ' N ' ' A' ' 57' ' ' LEU . 35.3 m -84.35 -42.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.452 ' CD1' HG22 ' A' ' 87' ' ' ILE . 3.0 tp -66.38 133.08 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -135.07 175.74 9.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.7 mt -130.56 127.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.8 123.55 50.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -129.32 126.64 39.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 t 55.28 33.6 21.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.87 -3.22 76.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -95.16 167.24 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.47 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.0 mt -62.94 134.13 55.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -101.89 177.68 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -73.87 -52.1 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -68.95 -8.64 46.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -76.07 170.52 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.24 146.87 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.6 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.425 HG21 ' N ' ' A' ' 74' ' ' GLN . 11.6 m -49.97 -38.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.425 ' N ' HG21 ' A' ' 73' ' ' VAL . 63.7 mm-40 -62.41 -31.26 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -85.6 -16.1 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.23 62.61 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.496 ' CG1' ' OE2' ' A' ' 81' ' ' GLU . 55.8 t -132.33 130.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -98.73 158.51 32.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 147.36 62.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.697 2.265 . . . . 0.0 112.383 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 62.01 39.63 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.496 ' OE2' ' CG1' ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.51 160.21 26.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.26 138.43 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.49 -177.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -145.45 114.62 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.8 m -118.5 166.55 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -128.71 142.65 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.452 HG22 ' CD1' ' A' ' 57' ' ' LEU . 35.1 mt -119.2 132.41 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.4 p90 -155.92 163.49 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -110.53 123.56 50.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.2 p -56.79 -34.91 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -114.85 79.43 5.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.47 36.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -77.94 -34.51 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.26 -46.96 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.463 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 39.5 m-85 -132.78 78.08 67.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.52 66.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.455 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 49.6 t -83.2 155.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -145.15 145.31 31.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 171.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.8 mt -132.55 129.94 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -85.74 140.23 30.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.16 68.64 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.442 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 tp -164.95 158.89 17.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.1 m -46.71 106.71 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' VAL . 10.0 t0 -175.0 165.78 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 105' ' ' ASP . 32.6 m -34.05 126.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -134.77 -176.9 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -116.64 159.04 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.5 pt -101.61 152.08 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.1 tt -175.0 166.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.1 p -43.7 97.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.1 p -150.43 129.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 53.7 p -65.67 166.29 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 86.38 68.27 1.35 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -35.2 12.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.2 t -67.79 170.24 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -173.97 127.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -169.54 148.59 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 m -155.02 164.99 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.67 163.25 36.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 p -164.55 113.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.828 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -148.84 139.29 22.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.88 -113.15 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -74.72 97.22 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.05 -60.01 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t 64.19 35.0 10.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.3 t -93.36 -64.6 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 69.96 49.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -137.29 114.71 11.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 m 59.63 50.99 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 80' ' ' GLN . 14.3 mt -92.3 132.36 36.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' HB2' ' CG1' ' A' ' 35' ' ' VAL . . . -120.34 129.99 54.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -68.36 106.54 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.53 108.37 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -80.08 130.32 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -106.59 141.38 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -135.23 128.12 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 28.8 mt -82.83 130.36 35.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -70.9 -58.51 4.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.84 -36.49 10.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.295 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 99' ' ' ARG . 2.8 t -83.45 -44.71 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 1.13 90.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -76.11 169.13 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -121.03 134.0 55.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -135.04 129.11 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -106.3 127.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 tt -150.79 131.53 7.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 144.0 52.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 4.0 t80 -146.22 149.57 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 117.51 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 16' ' ' ALA . 35.5 m -53.99 -25.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.43 -40.09 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -65.08 125.96 26.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.7 pt -46.58 173.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.2 mt -79.5 -33.19 42.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' TYR . 16.4 tptp -43.88 -57.82 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.2 m-85 -36.1 -55.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 15.9 tp -65.96 -39.34 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -47.18 -52.89 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.19 -41.64 84.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -42.63 -38.64 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 21.6 m-85 -92.75 -55.03 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 8.8 p -34.31 -60.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.5 p80 -56.63 -54.25 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.641 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.19 -60.73 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.4 mt -59.16 -31.05 68.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.51 38.97 7.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 pt -140.99 153.05 66.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.4 Cg_endo -69.73 106.43 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.625 2.216 . . . . 0.0 112.343 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 53' ' ' PRO . 19.2 p80 -36.62 -32.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' PRO . 78.4 p -41.1 -44.92 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.528 HG12 ' CD1' ' A' ' 95' ' ' TYR . 13.0 m -76.92 -32.6 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.468 ' CD1' HG23 ' A' ' 87' ' ' ILE . 6.1 tp -77.59 155.31 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' HG2' ' C ' ' A' ' 57' ' ' LEU . 13.8 mm100 -147.46 177.64 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.47 133.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -115.08 125.97 54.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.451 ' CD2' ' HE3' ' A' ' 64' ' ' LYS . 18.1 t80 -128.24 126.75 41.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t 50.04 25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.5 24.48 53.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.451 ' HE3' ' CD2' ' A' ' 61' ' ' TYR . 4.5 ptpt -124.37 154.48 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.298 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.21 114.86 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 49.7 mt -89.09 158.91 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -116.13 164.0 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.4 p-10 -56.59 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.78 -27.48 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -49.64 158.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.2 m -137.62 143.65 41.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.55 -40.49 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 23.8 m -67.67 -34.77 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.86 -34.88 73.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -82.95 -25.22 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.72 55.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 69.5 t -119.11 131.95 70.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.158 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 154.72 36.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.709 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.02 67.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 15' ' ' LEU . 29.7 mm-40 64.74 35.05 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -114.47 173.02 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.82 132.26 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 m -137.82 -179.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -146.82 113.21 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.18 161.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.72 141.43 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.468 HG23 ' CD1' ' A' ' 57' ' ' LEU . 20.1 mt -117.71 138.81 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -161.42 177.1 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.436 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 7.8 t -116.86 136.05 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -66.29 -37.85 86.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.419 ' ND2' HD11 ' A' ' 94' ' ' LEU . 26.3 t30 -125.61 83.01 62.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.03 37.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.28 -18.99 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.419 HD11 ' ND2' ' A' ' 91' ' ' ASN . 20.5 mt -112.93 -43.64 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.528 ' CD1' HG12 ' A' ' 56' ' ' VAL . 27.2 m-85 -134.53 82.42 45.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.712 0.767 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.71 48.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.436 ' CG2' ' HB2' ' A' ' 89' ' ' SER . 11.0 t -107.01 142.52 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -129.85 159.06 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.463 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 0.4 OUTLIER -55.55 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.7 mm -126.98 131.05 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -39.3 131.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -146.78 -101.25 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.408 HD21 ' N ' ' A' ' 103' ' ' LEU . 4.4 mm? -66.51 145.37 55.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.5 t -139.99 143.08 36.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 106' ' ' VAL . 11.8 t0 -39.95 154.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 105' ' ' ASP . 3.7 m -33.97 132.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.9 t -139.07 147.55 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -124.52 159.76 29.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.7 pt -113.46 160.75 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.3 tp -172.07 144.16 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.7 m -96.87 147.87 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 113' ' ' SER . 5.7 p -101.24 137.45 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.454 ' N ' HG23 ' A' ' 112' ' ' VAL . 97.0 p -86.4 178.65 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -119.76 146.27 17.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -171.57 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.5 t -157.54 177.72 11.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.7 t -138.38 151.48 47.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 3' ' ' SER . 87.6 p -78.53 134.4 37.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.2 m 35.82 42.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.9 67.89 0.49 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -60.62 175.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -112.26 -46.58 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.77 64.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -132.15 128.07 37.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -66.94 168.59 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m -83.25 91.08 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.2 m -114.16 126.04 71.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -124.89 46.82 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -88.38 -46.2 9.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -79.78 -48.59 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -41.12 144.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.94 149.7 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.059 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.1 m -73.17 98.62 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -105.85 109.34 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -77.96 131.33 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' CG1' HD13 ' A' ' 87' ' ' ILE . 76.3 t -119.01 118.96 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -115.64 129.64 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.444 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 26.5 mt -78.88 126.71 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.518 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.7 mm -69.62 -57.97 6.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.72 -36.39 10.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.444 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.4 t -84.58 -47.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.84 -6.11 81.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.88 142.74 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.402 ' C ' HG13 ' A' ' 29' ' ' ILE . 2.2 tt0 -93.25 153.13 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 28' ' ' GLU . 26.8 mt -146.57 126.79 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -106.48 119.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.5 tt -147.08 130.76 8.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 111.124 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.4 4.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.6 t80 -113.29 144.66 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -76.68 125.13 28.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.89 -34.98 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.75 -31.77 68.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 41' ' ' TYR . 3.7 m -75.43 132.25 40.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 pt -47.1 173.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.96 -29.06 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' LYS . 15.3 tttt -48.87 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.451 ' HB2' ' CG2' ' A' ' 37' ' ' THR . 7.1 m-85 -35.17 -42.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 34.3 tp -64.5 -47.43 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 40' ' ' LYS . 5.5 ptpt -71.89 -20.88 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.41 -26.93 56.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.501 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.7 t60 -71.31 -28.96 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -93.71 -30.96 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.2 p -60.14 -30.59 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.635 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 6.0 p-80 -85.17 -54.59 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.635 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.3 tm? -51.08 -55.37 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.42 -33.44 75.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.44 -13.45 61.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.8 pt -89.21 150.03 44.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.449 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.3 Cg_endo -69.7 164.19 35.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -85.19 -13.1 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -57.78 -43.89 85.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.8 m -85.84 -32.33 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.7 tp -78.5 151.17 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -149.72 178.19 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.7 mt -128.94 141.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -120.7 124.42 45.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.46 ' HB3' ' CD1' ' A' ' 66' ' ' LEU . 89.9 t80 -140.75 133.3 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t 54.54 29.08 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 13.44 60.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.52 130.74 53.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.85 120.42 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -96.06 155.0 16.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -111.62 165.72 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -59.98 -45.32 93.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -58.91 -28.95 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.39 139.08 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -120.0 148.24 43.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.69 -56.83 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.5 m -51.77 -39.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.11 -29.75 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -84.14 -16.02 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.06 50.84 0.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.1 t -121.87 122.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 156.12 39.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.57 67.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.355 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 67.96 26.93 7.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -115.98 166.23 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -110.22 137.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.6 m -137.15 -176.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -146.56 117.42 7.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 m -128.22 147.13 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -112.36 138.57 48.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 88' ' ' PHE . 66.2 mt -116.28 145.35 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.2 p90 -166.53 159.11 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -102.91 133.12 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.3 p -60.14 -41.64 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -123.41 87.9 51.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.87 -32.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.8 mt -98.77 -48.68 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.449 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 32.1 m-85 -126.87 80.56 70.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 154.39 67.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.424 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 57.0 t -95.74 118.25 41.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.49 179.56 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.428 ' HB2' ' CG1' ' A' ' 25' ' ' VAL . 21.8 ttt-85 -97.75 145.99 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.1 mt -117.87 98.05 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -38.79 -53.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.72 -169.75 44.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 104' ' ' THR . 0.3 OUTLIER -51.77 118.13 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.435 ' N ' HD13 ' A' ' 103' ' ' LEU . 96.8 m -35.39 148.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -50.14 174.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.7 120.91 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.5 p -127.25 -175.47 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -129.01 105.47 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.433 ' N ' ' CD1' ' A' ' 109' ' ' ILE . 0.1 OUTLIER -140.2 158.78 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.1 tt -161.5 153.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 112' ' ' VAL . 15.3 t -152.62 166.02 33.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 111' ' ' THR . 97.9 t -35.92 112.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.4 m -82.52 177.2 8.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.812 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.22 -157.92 15.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -176.06 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.387 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -142.43 124.52 15.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.4 t -62.71 168.76 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -161.94 164.35 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -96.35 -44.08 7.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.56 77.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -42.99 126.81 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -114.42 127.62 55.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.64 118.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 10.2 pt20 -99.49 -41.66 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 8' ' ' GLN . 27.6 mt-10 -113.46 108.91 17.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -98.94 134.48 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.4 m -100.73 152.68 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -119.96 66.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -118.7 -47.13 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.0 m -99.9 8.92 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD22 ' CD ' ' A' ' 34' ' ' LYS . 67.2 mt -88.73 124.59 34.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.15 132.54 54.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.2 m -65.26 97.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.6 t -100.39 109.61 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -78.96 143.16 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.9 t -126.34 124.23 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.6 t -119.7 126.79 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 27.1 mt -77.54 128.04 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.505 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.03 -58.8 3.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.3 Cg_endo -69.82 -35.27 12.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.6 t -85.13 -53.37 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.12 4.63 64.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -84.02 143.6 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -94.68 141.07 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.2 mt -139.41 142.12 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -123.44 130.53 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 tt -152.5 132.35 7.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.27 13.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.285 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.4 t80 -127.07 164.33 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CD ' HD22 ' A' ' 15' ' ' LEU . 4.1 mmmm -100.25 131.04 46.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.9 m -73.8 -20.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -98.61 21.67 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.8 m -131.03 128.93 41.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 pt -43.62 156.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.6 mt -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 13.8 tptt -41.34 -58.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -34.88 -61.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.521 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -59.05 -40.01 83.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.7 ttmt -55.94 -62.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.97 -30.31 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.475 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.1 t60 -59.85 -39.81 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -85.74 -34.01 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p -58.38 -37.19 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.7 p-80 -78.41 -54.84 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -54.12 -62.36 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.13 -37.87 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.3 -4.55 44.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 15.0 pt -100.95 147.54 33.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.745 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.31 50.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -82.99 9.48 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -87.5 -8.06 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.16 -24.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.423 ' CD1' HG21 ' A' ' 87' ' ' ILE . 3.3 tp -84.67 131.34 34.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -135.4 154.53 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.2 148.3 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -128.04 126.39 41.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -136.5 135.76 38.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.5 t 57.1 25.54 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.803 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.33 9.55 85.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 146.79 49.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.52 142.6 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.3 mt -117.84 155.32 30.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -99.01 160.14 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -71.2 -45.12 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -59.13 -25.48 63.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.58 -178.23 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 1.4 m -145.13 164.04 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.47 -35.81 78.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.8 m -69.45 -16.3 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 71' ' ' THR . 49.3 mt-30 -83.91 -16.96 42.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -102.46 -12.3 17.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.67 59.48 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.429 HG11 ' CD ' ' A' ' 81' ' ' GLU . 72.9 t -128.2 120.7 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.943 0.402 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -90.83 157.57 43.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.64 63.67 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 64.21 47.61 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.429 ' CD ' HG11 ' A' ' 77' ' ' VAL . 5.6 pt-20 -130.77 163.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.1 mt -106.03 132.17 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.6 m -135.47 166.63 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -130.86 114.79 15.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 31.1 m -122.11 163.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -121.35 152.1 39.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.423 HG21 ' CD1' ' A' ' 57' ' ' LEU . 15.0 mt -131.09 139.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -163.0 169.48 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.0 t -114.06 122.33 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -46.6 -38.75 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -127.96 86.26 58.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -11.88 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.51 -31.05 63.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.64 -50.56 4.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.459 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 55.4 m-85 -128.45 80.99 71.51 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.7 38.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.42 ' CG1' HD23 ' A' ' 22' ' ' LEU . 45.1 t -76.0 121.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -99.68 165.19 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -82.0 156.17 24.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 mt -121.86 105.02 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -53.31 126.17 20.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.08 147.87 15.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.7 tp -122.0 96.27 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.3 t -172.75 147.54 1.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -173.64 114.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.88 123.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -165.12 -178.69 5.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? -141.86 163.64 32.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 pt -114.44 102.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.6 tt -151.16 146.82 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.5 m -162.06 130.6 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.1 m -87.5 138.76 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 p -91.06 173.81 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -151.16 147.73 18.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.36 8.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 93.7 p -149.17 170.4 18.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -148.6 174.78 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' GLY . 78.8 p 34.63 42.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -124.26 170.89 10.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 49.24 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -118.68 149.73 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -51.33 115.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.99 -100.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 51.29 48.18 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.47 -40.81 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -85.0 156.85 20.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.62 120.91 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.57 44.18 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 13' ' ' ASP . 0.8 OUTLIER -96.17 -31.07 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.7 m -87.08 -37.26 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.88 134.95 25.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.45 153.58 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -82.36 109.18 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.74 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -78.65 123.34 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' CG1' ' CD1' ' A' ' 87' ' ' ILE . 78.9 t -101.24 126.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -115.88 134.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.468 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 37.2 mt -88.72 127.43 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.5 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.4 mm -72.05 -58.57 3.23 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.733 . . . . 0.0 111.159 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.82 -27.74 25.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.4 t -94.51 -54.25 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.89 63.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -76.97 155.72 32.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -111.83 133.42 54.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -133.96 126.51 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.2 t -99.89 116.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 tp -129.32 133.46 25.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 113.23 3.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -126.35 156.33 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -88.93 162.23 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.7 m -99.06 -31.18 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.95 25.8 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -130.15 138.33 50.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 pt -56.23 150.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.16 -21.07 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -49.3 -49.69 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -47.06 -56.33 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 20.7 tp -62.53 -33.03 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -57.82 -70.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -39.11 -36.48 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.45 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 3.7 t60 -51.08 -58.95 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -76.56 -35.93 57.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -49.15 71.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -68.3 -54.92 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.661 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -50.84 -59.93 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.51 -26.95 45.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.48 25.22 31.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 38.0 pt -130.61 150.66 76.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.658 0.742 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.73 36.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.56 -19.7 27.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -54.77 -59.08 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.2 m -69.3 -28.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.455 ' CD1' HG23 ' A' ' 87' ' ' ILE . 11.1 tp -81.72 142.72 32.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -143.6 171.68 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.1 mt -130.71 134.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -114.78 137.07 52.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -144.67 125.09 13.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 64.33 26.05 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.26 -9.72 66.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -93.99 161.9 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.9 mm -102.14 99.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.448 HD22 ' CE1' ' A' ' 75' ' ' HIS . 21.6 mt -69.11 163.46 24.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 24.0 mtpt -129.79 166.43 19.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.432 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.4 p-10 -59.89 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 4.3 t30 -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 67' ' ' LYS . 27.0 mt-10 -55.26 160.68 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.16 150.09 51.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.27 -55.91 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.98 -46.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.24 -31.05 13.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.448 ' CE1' HD22 ' A' ' 66' ' ' LEU . 97.0 m-70 -84.82 -28.74 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.03 57.91 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 96.7 t -121.98 121.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -86.17 155.7 57.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.5 48.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 62.36 39.97 11.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -118.33 163.94 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.7 mt -107.58 118.73 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.98 -175.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -142.1 122.29 13.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 33.4 m -128.25 171.8 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -133.28 153.17 51.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 57' ' ' LEU . 72.1 mt -129.79 137.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.5 p90 -163.29 167.55 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -114.72 142.25 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -67.25 -31.54 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.46 ' ND2' HD11 ' A' ' 94' ' ' LEU . 6.1 t30 -132.12 85.3 50.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -11.0 29.83 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.71 -31.46 61.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.46 HD11 ' ND2' ' A' ' 91' ' ' ASN . 45.5 mt -96.99 -51.83 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.46 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 39.4 m-85 -126.69 81.29 69.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.684 0.754 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 153.89 68.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.3 t -96.58 141.3 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -132.27 169.56 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.8 164.14 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.4 mm -94.34 113.56 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -41.15 160.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.05 159.06 27.39 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tp -87.65 127.13 35.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 p -89.81 175.36 7.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -108.19 -50.36 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.9 t -130.09 133.23 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -173.11 166.59 4.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -160.94 144.38 13.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.9 tp -145.38 140.35 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 12.8 tt -137.96 153.67 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.5 m -62.18 118.59 7.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.3 t -130.02 148.12 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.2 p -46.15 161.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -165.23 -179.87 39.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.81 55.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.8 p -130.66 169.99 14.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.7 p -86.4 178.36 7.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.809 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -95.86 98.0 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -129.35 137.71 51.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.42 179.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -78.58 81.74 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -171.51 131.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.69 161.94 16.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -108.12 -55.09 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -48.18 137.83 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -170.1 168.47 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.66 157.68 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -114.17 21.08 15.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.89 -49.05 72.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -85.04 -45.72 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -39.74 140.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.48 140.24 52.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -72.05 97.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.9 t -102.49 111.57 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.3 mttm -79.29 128.47 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.17 123.43 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.8 t -120.96 128.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.467 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 37.9 mt -80.44 126.96 31.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.502 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -70.52 -58.69 4.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.73 -34.81 13.91 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.5 t -85.94 -46.52 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.4 83.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.67 153.62 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -111.22 140.75 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 30' ' ' VAL . 80.0 mt -136.19 153.15 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.455 ' N ' HG21 ' A' ' 29' ' ' ILE . 85.4 t -132.98 113.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.56 128.59 10.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 124.87 11.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.8 t80 -126.37 135.8 51.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -62.8 133.43 54.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -73.71 -37.95 50.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.54 35.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.4 m -137.19 139.62 41.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.56 HD13 ' CD2' ' A' ' 41' ' ' TYR . 2.5 pp -51.55 169.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.1 mt -91.53 -28.12 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.0 tttm -33.14 -71.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.56 ' CD2' HD13 ' A' ' 38' ' ' ILE . 42.0 m-85 -36.48 -64.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 23.2 tp -48.17 -36.32 13.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' LYS . 25.5 ttmt -68.6 -60.04 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.85 -25.59 20.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -62.77 -38.09 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -89.33 -33.37 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 3.7 p -58.42 -58.63 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.649 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.6 p80 -57.75 -53.85 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.649 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -51.79 -58.4 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 mt -57.68 -20.44 33.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.51 5.16 75.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.76 151.18 46.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.28 57.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.45 -19.41 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -53.15 -38.07 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 57' ' ' LEU . 33.0 m -90.46 -45.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.454 ' N ' HG21 ' A' ' 56' ' ' VAL . 3.3 tp -66.81 140.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -141.79 171.68 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 60' ' ' ARG . 20.1 mt -128.62 147.12 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.416 ' N ' HG21 ' A' ' 59' ' ' ILE . 9.8 ttm180 -122.7 139.6 53.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -154.93 130.47 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 58.44 25.15 12.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.07 5.45 75.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -119.19 139.21 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.711 0.291 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.39 116.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.54 161.75 26.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HB3' ' CG ' ' A' ' 70' ' ' GLU . 32.6 tttm -112.75 165.25 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -71.15 -49.58 42.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -69.41 -2.92 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 24.2 mm-40 -83.87 160.07 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.44 148.2 45.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -58.91 -44.95 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 m -65.58 -26.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.71 -25.62 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -92.21 -39.98 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.92 61.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t -131.34 133.71 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -103.3 157.61 33.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 147.71 63.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 58.5 44.38 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -121.13 168.28 11.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.7 mt -116.71 124.81 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 m -128.39 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -145.34 115.48 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.7 m -125.26 145.98 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -108.37 138.83 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.9 mt -111.15 142.99 21.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 3.5 p90 -164.64 163.34 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 t -114.78 142.86 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.4 p -73.64 -37.22 65.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -111.23 80.84 2.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -36.47 10.75 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.08 -39.0 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.28 -51.73 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -125.64 80.93 65.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.81 28.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.45 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 40.6 t -74.76 118.5 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.19 177.81 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.69 172.59 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.2 mt -141.61 141.71 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.21 178.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.87 172.09 13.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.55 105.29 17.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.947 0.403 . . . . 0.0 110.94 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 75.3 p -122.51 168.23 12.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.0 39.15 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.98 119.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.9 p -131.02 146.31 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -107.85 41.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.4 tt -76.16 -34.82 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.8 tt -50.47 156.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.8 m -45.69 99.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 113' ' ' SER . 48.6 t -135.74 144.06 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 112' ' ' VAL . 10.9 t -35.22 125.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -102.79 170.28 19.89 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -167.86 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.2 p -172.71 157.12 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.6 p -170.44 143.68 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m 53.07 42.13 32.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -102.51 141.87 34.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.13 -79.58 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -107.83 90.78 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 7' ' ' GLY . 58.1 m -143.58 129.97 19.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.73 -84.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -169.71 112.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -86.5 134.81 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.4 p -99.47 43.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.7 p -128.53 131.4 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -124.43 39.73 3.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -44.05 -44.94 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.3 p -106.12 -41.08 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.436 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.8 mt -39.4 146.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.1 156.73 46.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 m -85.91 108.79 18.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -109.33 101.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.26 129.64 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.43 131.38 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.28 131.44 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.482 ' CB ' ' HB ' ' A' ' 25' ' ' VAL . 55.8 mt -84.43 127.05 33.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.506 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -72.51 -58.2 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.709 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -22.25 32.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.637 2.224 . . . . 0.0 112.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HB ' ' CB ' ' A' ' 22' ' ' LEU . 2.7 t -101.73 -57.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 99.02 6.22 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -81.06 148.75 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -106.33 131.19 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -127.79 150.47 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.47 126.25 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 6.5 tt -153.23 135.96 9.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.71 139.97 41.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 7.4 t80 -148.23 154.56 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 4.9 mptt -80.94 138.26 36.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.1 m -83.89 -22.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.65 9.98 42.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.418 HG23 ' N ' ' A' ' 38' ' ' ILE . 52.6 m -115.93 140.25 49.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.569 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.6 pp -47.46 172.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.6 mt -91.48 -29.23 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 43' ' ' LYS . 20.0 tptt -32.14 -71.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.569 ' CD2' HD11 ' A' ' 38' ' ' ILE . 44.1 m-85 -34.07 -45.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 19.1 tp -70.59 -43.43 69.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 40' ' ' LYS . 8.2 ttmm -53.37 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' HIS . 38.3 m-20 -48.32 -49.08 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' ASP . 3.7 t60 -34.61 -39.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 45.0 m-85 -90.82 -55.09 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' PHE . 15.3 m -37.04 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.4 p80 -46.3 -54.19 9.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.655 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.52 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.61 -26.87 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.85 17.05 49.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.438 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 33.7 pt -122.43 151.53 59.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.21 47.54 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -67.0 -12.26 59.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -57.54 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.3 m -73.21 -36.36 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.8 tp -69.9 139.63 53.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -137.33 169.07 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.6 mt -131.43 123.94 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -109.52 131.71 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -138.81 125.35 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t 55.45 29.41 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.45 15.4 81.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.08 155.97 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -97.01 102.21 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -69.83 -177.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -164.92 178.6 7.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.509 ' ND2' ' C ' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -68.96 -71.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.57 -26.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 148.24 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.54 161.63 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.43 -44.5 91.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.73 -21.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -76.43 -25.82 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -91.69 -21.28 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.76 52.13 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 78.2 t -125.56 135.86 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.06 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -107.67 160.58 26.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.519 0.676 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.19 59.25 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 62.62 41.14 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -125.45 161.71 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.52 134.03 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.93 -177.49 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -144.04 119.89 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.82 162.37 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -121.87 139.7 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.9 mt -117.96 140.99 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.8 p90 -163.46 173.3 13.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 t -119.65 135.88 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.1 p -63.75 -36.84 85.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . 0.443 ' ND2' HD11 ' A' ' 94' ' ' LEU . 3.9 t30 -128.33 86.96 56.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -17.53 37.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.22 -37.82 81.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.443 HD11 ' ND2' ' A' ' 91' ' ' ASN . 30.2 mt -90.04 -53.35 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.438 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 27.1 m-85 -126.95 78.61 73.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.682 0.753 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 141.06 44.04 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.469 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 42.8 t -77.13 142.65 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.403 ' N ' HG11 ' A' ' 97' ' ' VAL . 12.2 ptm180 -121.15 -176.39 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -102.02 147.36 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.7 mt -113.57 136.25 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -89.38 168.24 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.8 154.49 16.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.471 ' C ' ' CD2' ' A' ' 103' ' ' LEU . 0.0 OUTLIER -60.28 -12.45 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.462 ' N ' HD13 ' A' ' 103' ' ' LEU . 93.8 m -64.07 -44.88 91.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -93.76 132.1 38.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.6 p -93.04 135.77 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 m -128.78 93.95 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -106.57 -45.09 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.0 tp -132.03 85.23 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.5 tp -151.71 140.9 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.9 p -86.22 115.17 23.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 113' ' ' SER . 9.9 p -98.24 142.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 112' ' ' VAL . 32.3 t -35.18 139.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -108.19 72.05 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -12.71 33.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t 55.46 49.21 17.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.7 t -96.83 128.38 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD21 ' HD2' ' A' ' 34' ' ' LYS . 12.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 81' ' ' GLU . . . -121.19 163.29 18.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -87.26 110.92 20.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.95 109.72 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -81.93 136.76 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.526 ' CG1' HD12 ' A' ' 87' ' ' ILE . 63.2 t -116.75 131.65 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.96 127.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.764 HD13 HG21 ' A' ' 25' ' ' VAL . 34.7 mt -77.25 127.6 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.6 mm -70.93 -58.38 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.688 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.73 -33.88 15.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.749 2.299 . . . . 0.0 112.317 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.764 HG21 HD13 ' A' ' 22' ' ' LEU . 2.6 t -87.03 -46.86 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.52 83.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' HB3' HD12 ' A' ' 22' ' ' LEU . 6.5 tt0 -70.12 174.07 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -129.6 129.5 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.0 mt -136.29 132.53 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -113.29 131.29 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.47 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 3.5 tt -151.8 136.39 10.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.75 135.5 30.63 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -141.62 143.55 33.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HD2' HD21 ' A' ' 15' ' ' LEU . 1.3 mptm? -73.66 142.22 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 73' ' ' VAL . 33.3 m -79.56 -18.18 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -92.39 -21.38 20.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.2 m -83.58 132.81 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.4 pt -52.3 166.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 66' ' ' LEU . 14.0 mt -73.97 -43.72 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.5 ttpp -35.33 -60.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -36.0 -48.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 24.5 tp -71.36 -36.53 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.6 ttpp -67.52 -65.96 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' LYS . 22.3 t70 -34.92 -32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LYS . 5.3 t60 -60.88 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -50.32 -34.81 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -56.34 -68.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.2 p-80 -49.14 -54.75 14.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.663 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.3 tm? -49.61 -53.92 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 98' ' ' ARG . 19.6 mt -64.83 -26.4 68.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.02 12.85 59.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.5 pt -118.79 149.51 46.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.6 Cg_endo -69.74 160.08 51.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -85.32 -16.95 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -55.28 -23.84 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG21 ' HB2' ' A' ' 95' ' ' TYR . 35.4 m -106.82 -31.77 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 87' ' ' ILE . 11.3 tp -79.6 136.5 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.44 ' N ' HD12 ' A' ' 57' ' ' LEU . 7.1 mt-30 -138.48 179.83 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 60' ' ' ARG . 29.7 mt -130.14 159.19 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.509 HH21 HD11 ' A' ' 65' ' ' ILE . 20.4 ttm180 -136.9 138.91 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.528 ' CB ' HD11 ' A' ' 66' ' ' LEU . 72.7 t80 -150.08 125.3 10.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.3 p 56.29 38.73 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.22 20.77 69.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -120.57 162.99 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.509 HD11 HH21 ' A' ' 60' ' ' ARG . 40.0 mm -103.27 102.77 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.528 HD11 ' CB ' ' A' ' 61' ' ' TYR . 61.3 mt -74.14 141.99 45.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -97.11 162.09 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -62.84 -55.54 25.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.77 -5.79 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.66 156.75 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.97 158.97 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.5 mm? -65.51 -43.69 89.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 35' ' ' VAL . 15.7 m -63.35 -19.63 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.5 -33.16 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.449 ' CD2' HD22 ' A' ' 66' ' ' LEU . 12.5 m-70 -86.23 -18.94 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.88 60.16 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.915 HG13 ' OE2' ' A' ' 81' ' ' GLU . 85.7 t -129.69 126.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.502 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 20.6 mmtp -95.48 160.73 29.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.502 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.6 Cg_endo -69.66 153.91 68.78 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 58.82 43.79 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.915 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.8 pt-20 -126.3 163.19 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.87 134.9 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.4 177.71 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -139.98 124.58 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.4 153.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 57' ' ' LEU . 49.7 mt -119.81 146.58 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.9 p90 -166.77 164.28 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 t -116.24 134.34 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.1 p -61.92 -40.35 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -111.66 81.75 3.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -36.15 11.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -61.95 -36.81 82.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 mt -89.79 -52.67 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.466 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m-85 -125.58 80.63 65.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.713 0.768 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.3 60.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 48.0 t -97.13 125.76 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.51 ' H ' HD22 ' A' ' 50' ' ' LEU . 17.2 mmm180 -112.93 175.01 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.761 ' HG3' HG11 ' A' ' 25' ' ' VAL . 44.8 mtm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 ' CD ' ' A' ' 34' ' ' LYS . 12.2 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.69 149.29 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.4 m -79.16 98.34 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.84 114.61 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 85' ' ' VAL . 39.2 mtmt -88.21 138.16 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 87' ' ' ILE . 57.8 t -121.68 130.74 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.9 t -123.95 128.54 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 25' ' ' VAL . 41.6 mt -78.44 126.45 30.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.8 -58.4 3.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.671 0.748 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.8 -21.26 33.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.71 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -103.16 -58.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 103.24 -5.1 48.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.592 ' HB3' HD12 ' A' ' 22' ' ' LEU . 13.2 tt0 -70.04 156.11 39.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -111.95 136.88 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.13 139.39 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.02 125.71 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -149.1 133.65 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HB2' HD22 ' A' ' 15' ' ' LEU . 54.1 Cg_endo -69.72 127.2 14.28 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.351 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 4.3 t80 -128.0 141.08 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.521 ' CD ' HD21 ' A' ' 15' ' ' LEU . 1.6 mppt? -80.47 122.02 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.428 ' HB ' HG13 ' A' ' 73' ' ' VAL . 32.5 m -58.38 -22.84 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 p30 -89.56 -9.06 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.7 m -94.29 125.18 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -46.78 167.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 15.0 mt -74.98 -40.48 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 30.1 tttp -36.58 -57.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.0 m-85 -36.29 -58.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.3 tp -58.09 -41.62 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -56.67 -52.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.595 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.3 t60 -48.89 -34.78 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 37.0 m-85 -91.12 -64.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' PHE . 2.0 t -34.53 -50.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.698 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.0 p-80 -61.56 -52.53 64.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.698 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -60.25 -62.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.3 mt -48.82 -24.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.36 -26.09 24.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 28.8 pt -83.9 151.04 60.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.8 Cg_endo -69.8 148.9 65.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -69.88 -16.69 63.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -53.33 -59.93 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 95' ' ' TYR . 31.2 m -70.18 -40.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 87' ' ' ILE . 5.5 tp -66.38 138.61 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.24 166.46 25.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 60' ' ' ARG . 94.1 mt -120.94 159.61 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.54 ' N ' HG22 ' A' ' 59' ' ' ILE . 12.1 ttp180 -135.58 127.22 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.736 ' HB3' HD11 ' A' ' 66' ' ' LEU . 79.5 t80 -142.87 125.32 15.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t 68.75 29.68 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.78 2.09 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 145.12 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.6 mm -79.98 123.59 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 61' ' ' TYR . 7.5 mt -88.91 178.97 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -133.04 179.23 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -75.94 -60.06 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -57.05 -12.74 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.28 138.85 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -113.31 149.06 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.4 mm? -55.26 -48.11 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 35' ' ' VAL . 2.8 m -60.31 -34.77 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.87 -26.98 68.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -87.08 -28.08 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.36 51.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.828 HG13 ' OE2' ' A' ' 81' ' ' GLU . 59.5 t -123.61 127.32 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.372 . . . . 0.0 111.106 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 28.9 mmtm -101.22 160.73 25.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.549 0.69 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 53.7 Cg_endo -69.78 149.43 66.76 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 66.07 44.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.828 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.0 pt-20 -129.52 160.19 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mt -111.17 125.27 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.75 175.75 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -140.39 128.13 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 19' ' ' LYS . 10.3 m -135.27 148.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.42 138.22 48.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 57' ' ' LEU . 20.1 mt -111.08 141.68 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -158.74 174.0 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -126.67 135.17 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -68.81 -39.57 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.448 ' OD1' HD12 ' A' ' 94' ' ' LEU . 4.6 m-80 -109.78 81.02 1.83 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.63 24.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -40.6 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.448 HD12 ' OD1' ' A' ' 91' ' ' ASN . 33.0 mt -86.78 -50.45 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.568 ' HB2' HG21 ' A' ' 56' ' ' VAL . 28.9 m-85 -127.53 79.44 73.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 154.97 66.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.471 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 60.2 t -93.44 140.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -123.56 -179.98 4.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' GLN . 29.5 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.69 132.38 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -69.57 102.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -102.78 110.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HG2' HG22 ' A' ' 30' ' ' VAL . 20.4 mtpp -84.78 121.0 27.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 87' ' ' ILE . 53.6 t -101.71 141.49 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.29 131.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.742 HD13 HG21 ' A' ' 25' ' ' VAL . 59.9 mt -82.38 124.18 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -71.15 -58.28 4.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 -28.62 24.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -94.4 -56.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.45 -8.08 51.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.55 ' HB3' HD12 ' A' ' 22' ' ' LEU . 4.8 tt0 -78.46 138.95 38.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' C ' HG13 ' A' ' 29' ' ' ILE . 19.4 tt0 -99.93 154.22 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 28' ' ' GLU . 55.9 mt -147.23 130.22 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.431 HG22 ' HG2' ' A' ' 19' ' ' LYS . 76.3 t -105.49 122.71 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.472 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 7.7 tt -143.65 136.11 13.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.669 0.747 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.73 118.74 5.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.5 t80 -119.75 153.7 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -88.77 136.53 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.43 -19.72 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -100.11 24.56 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 m -133.56 138.68 46.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.455 HD12 ' CB ' ' A' ' 40' ' ' LYS . 28.0 pt -52.16 156.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 67' ' ' LYS . 9.4 mt -69.88 -34.55 73.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' CB ' HD12 ' A' ' 38' ' ' ILE . 5.1 tmtm? -36.47 -56.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.5 m-85 -34.97 -59.13 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 9.7 tp -66.73 -39.26 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -51.26 -59.6 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 45' ' ' HIS . 2.7 p30 -56.32 -51.9 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 4.6 t60 -36.41 -38.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -87.79 -55.3 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.9 t -39.58 -59.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.669 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.9 p-80 -55.06 -55.12 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.669 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -49.69 -62.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 98' ' ' ARG . 17.4 mt -52.14 -24.98 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.24 5.3 72.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 pt -112.93 151.39 44.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.7 152.48 69.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -77.46 -14.81 59.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -56.56 -25.65 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 95' ' ' TYR . 27.1 m -105.09 -32.59 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.516 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.4 tp -75.65 137.08 40.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' HG3' HG23 ' A' ' 90' ' ' THR . 20.7 mt-30 -137.9 163.67 30.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.39 128.39 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.473 ' CZ ' ' OE1' ' A' ' 86' ' ' GLU . 18.0 ttp180 -109.97 130.56 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CB ' HD11 ' A' ' 66' ' ' LEU . 61.8 t80 -136.04 127.69 28.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t 53.71 38.15 27.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.75 26.03 74.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -127.14 157.47 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.713 0.292 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.29 91.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.541 HD11 ' CB ' ' A' ' 61' ' ' TYR . 46.5 mt -60.93 161.18 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 39' ' ' LEU . 36.0 mttp -125.56 -176.29 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -78.95 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.71 -21.81 42.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.53 132.37 47.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m -100.47 159.77 14.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD21 HD23 ' A' ' 39' ' ' LEU . 4.0 mm? -65.47 -51.37 60.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 m -57.46 -27.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.84 -35.96 81.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -83.75 -23.69 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.12 67.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.965 HG13 ' OE2' ' A' ' 81' ' ' GLU . 94.9 t -132.03 120.3 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -88.21 153.87 51.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.543 0.687 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.43 57.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' LEU . 94.3 mt-30 62.28 38.99 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.965 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.4 pt-20 -118.33 177.03 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.6 mt -122.76 133.38 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.92 -177.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -142.87 116.23 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.0 m -118.21 170.34 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 60' ' ' ARG . 35.0 mt-10 -132.14 138.8 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.516 HG23 ' CD1' ' A' ' 57' ' ' LEU . 25.2 mt -119.39 139.72 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -165.03 167.98 17.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.8 t -114.86 134.17 55.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.401 HG23 ' HG3' ' A' ' 58' ' ' GLN . 65.1 p -62.8 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.697 ' ND2' HD12 ' A' ' 94' ' ' LEU . 11.7 t-20 -119.34 80.93 21.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.568 0.699 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -15.32 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.85 -36.83 62.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.697 HD12 ' ND2' ' A' ' 91' ' ' ASN . 17.2 mt -92.23 -46.9 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 56' ' ' VAL . 50.2 m-85 -128.54 80.6 72.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.758 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.75 48.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.405 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 20.9 t -86.08 118.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.428 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 4.8 mmp_? -109.07 148.37 30.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 6.7 ttp-105 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.38 137.82 53.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -63.84 106.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.39 117.7 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -94.32 125.01 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG11 HD12 ' A' ' 87' ' ' ILE . 97.1 t -104.68 132.01 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.497 HG22 ' HG3' ' A' ' 28' ' ' GLU . 58.2 t -120.89 129.77 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.735 HD13 HG21 ' A' ' 25' ' ' VAL . 29.2 mt -81.55 125.39 30.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -70.04 -57.96 5.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.148 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.76 -33.24 16.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.735 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -88.12 -52.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.99 3.66 63.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HB3' HD12 ' A' ' 22' ' ' LEU . 16.0 tt0 -81.63 156.52 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 21' ' ' VAL . 7.0 mp0 -112.15 135.97 52.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.1 mt -132.72 140.72 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -117.37 125.69 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -152.43 134.07 8.33 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 119.73 6.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.6 t80 -122.06 148.4 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -81.53 138.18 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 73' ' ' VAL . 21.1 m -83.64 -6.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -112.0 -0.33 15.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.5 m -104.11 124.92 49.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pt -40.6 142.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.83 -15.48 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -51.89 -47.4 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -45.98 -66.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -62.76 -42.61 99.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.75 -49.33 59.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.405 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 5.6 t60 -43.74 -36.54 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.47 -26.66 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -66.35 -38.39 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 2.2 p80 -76.39 -54.72 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.5 tm? -50.16 -56.49 10.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 98' ' ' ARG . 41.8 mt -61.63 -41.37 97.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.22 -0.11 44.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.2 pt -104.24 150.61 38.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 139.34 39.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -58.9 -12.47 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -58.69 -55.84 29.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 95' ' ' TYR . 5.3 m -74.11 -28.09 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.421 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.2 tp -80.35 135.9 36.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -136.38 171.33 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.6 mt -127.13 140.94 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -123.69 133.84 53.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.735 ' HB3' HD11 ' A' ' 66' ' ' LEU . 78.6 t80 -151.21 138.53 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 55.65 31.01 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.78 6.37 43.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -122.91 137.29 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.0 mm -73.06 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 61' ' ' TYR . 2.0 mt -106.87 158.74 16.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -114.5 157.9 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -58.97 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -48.87 -22.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 157.4 22.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.65 170.83 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.2 mm? -69.15 -37.17 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 35' ' ' VAL . 13.8 m -60.2 -41.57 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -64.71 -11.09 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -105.95 -14.13 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.42 64.09 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.55 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.661 HG13 ' OE2' ' A' ' 81' ' ' GLU . 46.8 t -138.75 136.4 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -106.1 156.16 37.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.57 43.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 73.93 44.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.661 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.6 pt-20 -126.96 168.4 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.3 mt -110.72 131.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -141.35 -177.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -146.49 117.94 7.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.551 HG12 ' CD1' ' A' ' 61' ' ' TYR . 6.4 m -123.6 144.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -103.1 159.53 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.544 HD12 HG11 ' A' ' 20' ' ' VAL . 22.9 mt -137.62 140.73 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -161.15 168.8 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 t -119.83 131.71 55.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.9 p -61.65 -28.67 69.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -123.02 81.89 50.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.43 25.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.58 -48.11 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 95' ' ' TYR . 18.8 mt -79.43 -44.81 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.449 ' HB2' HG21 ' A' ' 56' ' ' VAL . 40.0 m-85 -134.41 81.9 47.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.56 41.59 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.44 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 56.8 t -103.18 130.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.619 ' H ' HD22 ' A' ' 50' ' ' LEU . 37.7 mmm-85 -112.55 158.87 19.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.521 ' HB3' HG11 ' A' ' 25' ' ' VAL . 12.7 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.75 129.98 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -65.34 101.73 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.3 t -104.56 112.9 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 85' ' ' VAL . 59.0 mttm -85.7 139.54 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.647 ' CG1' HD12 ' A' ' 87' ' ' ILE . 77.6 t -120.79 118.99 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -113.35 127.27 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.831 HD13 HG21 ' A' ' 25' ' ' VAL . 61.3 mt -75.49 126.37 30.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -70.87 -58.7 4.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -33.43 16.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.831 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -88.0 -52.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.51 -5.39 60.44 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.438 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.556 ' HB3' HD12 ' A' ' 22' ' ' LEU . 38.4 tt0 -76.69 144.22 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -106.04 144.43 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.9 mt -137.62 148.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -122.22 125.03 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.456 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.9 tt -149.12 137.33 11.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.0 Cg_endo -69.77 141.68 45.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 6.2 t80 -146.44 151.02 36.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.73 127.13 34.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 73' ' ' VAL . 26.6 m -68.82 -12.8 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 5.44 37.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.7 m -107.61 131.3 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.4 pt -51.49 144.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 72' ' ' LEU . 9.3 mt -61.8 -23.69 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 2.6 tmtt? -46.01 -64.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.8 m-85 -34.51 -69.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 19.6 tp -43.96 -42.71 6.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 10.7 ttmt -44.17 -69.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -41.23 -46.4 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' ASP . 2.8 t60 -35.8 -47.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -90.97 -35.09 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -58.54 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.0 p-80 -61.67 -54.18 46.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -51.14 -59.45 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.6 mt -53.83 -31.67 50.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.06 13.46 49.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -123.29 148.53 55.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.639 ' O ' HG22 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.78 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.236 . . . . 0.0 112.38 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -51.16 -19.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -53.51 -34.9 59.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 53' ' ' PRO . 17.1 m -93.61 -23.97 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.584 HD11 HG23 ' A' ' 87' ' ' ILE . 4.2 tp -91.93 133.18 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -132.87 170.91 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.31 134.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -118.88 126.05 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.874 ' HB3' HD11 ' A' ' 66' ' ' LEU . 44.7 t80 -136.66 142.67 43.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m 58.95 29.19 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 7.23 57.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -122.65 147.65 46.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mm -79.68 125.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.874 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.6 mt -93.94 173.38 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -118.27 -178.51 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -86.72 -48.05 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -69.97 -8.91 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.45 166.93 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 73' ' ' VAL . 3.3 m -135.77 147.41 48.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 39' ' ' LEU . 3.2 mm? -60.56 -42.68 97.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 35' ' ' VAL . 9.5 m -65.62 -30.51 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -72.42 -28.91 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.47 -34.76 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.87 54.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.709 HG13 ' OE2' ' A' ' 81' ' ' GLU . 60.6 t -128.17 131.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.496 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 26.1 mmtm -103.7 160.81 24.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.2 Cg_endo -69.72 145.59 57.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.383 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 66.51 51.95 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.709 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.3 pt-20 -133.33 166.19 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.7 mt -116.54 127.34 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 m -128.98 -178.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -145.94 114.93 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 19' ' ' LYS . 8.6 m -124.65 146.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -108.36 135.52 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.647 HD12 ' CG1' ' A' ' 20' ' ' VAL . 40.6 mt -107.74 143.22 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.0 p90 -164.66 168.24 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -114.77 143.47 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -72.59 -33.35 66.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.627 ' ND2' HD12 ' A' ' 94' ' ' LEU . 11.1 t-20 -124.25 81.29 58.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.27 37.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.0 -38.89 69.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.627 HD12 ' ND2' ' A' ' 91' ' ' ASN . 13.7 mt -91.84 -47.45 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.549 ' CD1' HG11 ' A' ' 56' ' ' VAL . 44.8 m-85 -128.22 80.69 71.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.709 0.766 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 150.55 68.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.25 136.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -117.61 -174.96 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD21 ' CD ' ' A' ' 34' ' ' LYS . 10.5 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.829 0.347 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.09 138.89 52.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -68.91 105.96 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -108.5 111.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -84.44 146.43 27.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.417 ' CG1' HD12 ' A' ' 87' ' ' ILE . 75.4 t -125.59 124.17 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.685 HG22 ' HG2' ' A' ' 28' ' ' GLU . 89.3 t -119.11 126.73 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 25' ' ' VAL . 38.0 mt -77.61 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.78 -58.41 3.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 111.169 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.8 -22.57 31.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.832 HG21 HD13 ' A' ' 22' ' ' LEU . 2.3 t -101.48 -58.39 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 102.77 -1.29 48.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.432 ' HB3' HD12 ' A' ' 22' ' ' LEU . 19.6 tt0 -76.01 147.3 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.685 ' HG2' HG22 ' A' ' 21' ' ' VAL . 23.6 mt-10 -103.33 140.21 37.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -136.49 137.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.0 t -117.1 128.58 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.418 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 5.1 tt -155.15 135.48 8.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.77 134.05 27.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 5.1 t80 -137.5 154.62 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' CD ' HD21 ' A' ' 15' ' ' LEU . 1.4 mppt? -87.62 131.55 34.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.6 m -73.79 -22.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -85.2 -26.78 26.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.8 m -82.63 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 pt -48.15 175.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.67 HD11 HD13 ' A' ' 66' ' ' LEU . 20.8 mt -82.21 -30.41 30.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.7 ttpm? -44.27 -58.09 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.7 m-85 -34.92 -59.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 16.8 tp -64.28 -41.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -47.27 -69.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -42.94 -48.22 5.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.588 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.09 -39.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -86.61 -47.44 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 p -47.98 -48.92 32.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.658 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.5 p-80 -65.88 -54.6 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.658 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -52.17 -62.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.84 -25.81 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.05 27.92 27.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -136.85 152.38 74.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 143.08 49.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -71.04 -7.59 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.5 t -61.22 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.594 HG21 ' HB2' ' A' ' 95' ' ' TYR . 16.2 m -84.15 -32.23 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 87' ' ' ILE . 6.7 tp -77.23 137.98 39.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' HD12 ' A' ' 57' ' ' LEU . 15.9 mm-40 -139.64 163.17 33.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.74 148.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -121.16 134.71 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -149.73 125.39 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p 53.15 43.21 31.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.97 19.3 58.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -118.58 158.99 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -102.56 90.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.67 HD13 HD11 ' A' ' 39' ' ' LEU . 62.7 mt -57.63 162.23 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -124.33 -175.95 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -80.39 -41.01 25.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.8 -13.68 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.38 148.95 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 m -125.02 146.22 49.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -69.0 -33.4 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -63.31 -31.49 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -84.87 -32.51 23.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.59 55.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.832 HG13 ' OE2' ' A' ' 81' ' ' GLU . 76.5 t -125.58 125.21 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.0 157.06 37.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 153.13 69.43 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.76 37.53 9.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.832 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.3 pt-20 -121.74 163.85 18.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -112.68 123.01 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 m -122.24 176.24 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -145.18 114.07 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.45 162.55 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -122.32 133.98 54.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.612 HG23 HD11 ' A' ' 57' ' ' LEU . 36.1 mt -107.08 144.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.7 p90 -162.35 174.49 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 t -119.34 128.46 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -53.84 -40.97 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -127.11 86.29 59.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.84 33.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -73.17 -28.63 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.59 -51.71 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.594 ' HB2' HG21 ' A' ' 56' ' ' VAL . 28.9 m-85 -125.0 78.66 66.02 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.707 0.765 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.26 63.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.599 HG11 HD22 ' A' ' 22' ' ' LEU . 97.4 t -92.37 151.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -134.5 166.69 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.434 HD13 ' HB2' ' A' ' 32' ' ' PRO . 95.9 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.855 0.359 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -114.12 128.4 56.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -60.54 101.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 16' ' ' ALA . 93.0 t -107.92 111.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.583 ' O ' HG22 ' A' ' 85' ' ' VAL . 38.6 mtmt -85.33 128.69 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG11 HD12 ' A' ' 87' ' ' ILE . 36.1 t -110.92 129.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -122.95 130.51 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' A' ' 27' ' ' GLN . 37.9 mt -78.92 125.23 29.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -71.37 -58.26 3.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.525 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -17.23 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.362 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.614 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -108.47 -58.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 105.47 -3.85 40.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.745 ' HB3' HD12 ' A' ' 22' ' ' LEU . 27.3 tt0 -73.49 146.54 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.723 0.297 . . . . 0.0 110.953 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 29' ' ' ILE . 3.1 tp10 -109.06 144.53 36.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 43.8 mt -141.22 132.34 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.83 122.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 2.6 tt -147.58 136.98 11.87 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 15.5 t80 -129.94 149.92 51.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -80.48 144.39 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 36' ' ' ASP . 26.2 m -86.06 -11.79 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' OD1' HG23 ' A' ' 35' ' ' VAL . 5.8 m-20 -102.26 -24.66 13.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ILE . 41.9 m -81.54 108.68 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.595 HD13 ' N ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -34.78 152.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.569 HD12 ' CD ' ' A' ' 70' ' ' GLU . 6.9 mt -66.06 -18.25 65.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -41.86 -41.49 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.593 ' HE1' HD11 ' A' ' 38' ' ' ILE . 51.3 m-85 -65.74 -55.89 14.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 16.5 tp -57.42 -16.47 9.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -82.8 -59.45 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -41.1 62.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.6 t60 -47.74 -57.19 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -71.72 -41.83 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -50.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.662 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.0 p-80 -53.51 -54.87 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.662 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.7 tm? -47.45 -61.03 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.28 -23.29 35.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.67 10.84 66.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 pt -117.21 152.21 48.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.54 65.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -71.37 -17.21 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -53.44 -55.84 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.609 HG21 ' HB2' ' A' ' 95' ' ' TYR . 28.8 m -74.09 -41.65 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 87' ' ' ILE . 6.0 tp -69.32 132.95 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -134.32 177.89 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -131.99 148.22 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -130.43 128.42 41.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.63 ' HB3' HD11 ' A' ' 66' ' ' LEU . 56.4 t80 -146.09 139.91 26.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t 56.15 27.49 11.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.5 69.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -127.45 136.68 52.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -69.03 105.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 61' ' ' TYR . 42.9 mt -66.75 -177.93 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -130.91 -175.35 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.83 -33.94 8.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 1.9 t30 -91.08 -2.09 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.569 ' CD ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -79.81 -175.02 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -146.4 142.9 28.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' H ' HD22 ' A' ' 72' ' ' LEU . 3.0 mm? -57.26 -45.45 84.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 35' ' ' VAL . 16.9 m -56.98 -31.74 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.13 -22.35 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -93.49 -27.21 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.42 63.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.891 HG13 ' OE2' ' A' ' 81' ' ' GLU . 87.1 t -134.88 132.22 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -99.84 156.54 35.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 149.98 67.7 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.65 2.234 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 63.23 37.95 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.891 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.2 pt-20 -118.4 165.74 13.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.487 ' CG2' ' HE2' ' A' ' 19' ' ' LYS . 60.9 mt -111.19 130.25 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -137.59 176.83 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -133.16 124.73 28.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 19' ' ' LYS . 18.5 m -130.78 149.91 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -116.36 139.48 50.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.48 HG23 HD11 ' A' ' 57' ' ' LEU . 19.1 mt -115.46 142.72 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.1 p90 -166.6 171.77 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.54 45.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.6 p -68.38 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -131.36 86.49 50.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.54 28.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.311 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.33 -35.89 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.1 mt -93.57 -51.1 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.609 ' HB2' HG21 ' A' ' 56' ' ' VAL . 41.9 m-85 -127.9 82.65 67.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.714 0.769 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.34 66.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.414 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 58.9 t -95.73 143.19 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -133.44 165.91 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 32' ' ' PRO . 13.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -73.41 90.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.85 107.6 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 85' ' ' VAL . 30.0 mtmm -82.65 146.89 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.58 147.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.66 131.39 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.745 HD13 HG21 ' A' ' 25' ' ' VAL . 77.1 mt -86.32 123.07 31.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.43 -58.11 4.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 0.0 111.113 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.71 -18.23 37.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.745 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -107.43 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 104.76 -3.15 41.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.541 ' HB3' HD12 ' A' ' 22' ' ' LEU . 13.9 tt0 -73.1 153.87 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -112.34 130.98 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -130.75 131.89 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 19' ' ' LYS . 74.7 t -112.0 128.33 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tt -149.45 133.48 8.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.415 ' HB2' HD22 ' A' ' 15' ' ' LEU . 53.5 Cg_endo -69.76 116.66 4.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.5 t80 -116.54 153.73 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -81.83 132.14 35.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.33 -25.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.21 33.43 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.2 m -137.69 131.65 31.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 pt -46.79 145.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 67' ' ' LYS . 8.5 mt -61.27 -13.99 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -49.66 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -42.83 -59.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.14 -34.27 77.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -54.97 -73.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -44.81 -35.0 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -52.44 -55.95 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -72.84 -37.72 67.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -53.2 -66.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.8 p-80 -53.4 -55.01 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.0 -25.11 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.2 3.59 61.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 20.9 pt -117.39 151.73 48.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.723 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.354 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -87.93 -11.83 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.4 t -64.16 -16.95 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 95' ' ' TYR . 19.5 m -114.87 -20.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.726 HD11 HG23 ' A' ' 87' ' ' ILE . 10.8 tp -90.33 147.07 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -146.2 174.93 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mt -134.23 132.43 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -109.81 126.38 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 66' ' ' LEU . 72.9 t80 -140.15 125.41 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m 62.98 26.07 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.814 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.48 -7.56 61.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -113.8 142.05 46.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mm -77.87 143.59 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 61' ' ' TYR . 2.6 mt -116.04 140.48 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.583 ' O ' HD12 ' A' ' 39' ' ' LEU . 25.1 pttt -103.59 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 68' ' ' ASN . 7.1 p-10 -64.5 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -40.87 -28.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -78.8 142.12 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -114.88 158.33 22.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.3 mm? -58.36 -45.67 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.09 -22.76 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.76 -21.01 52.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -96.71 -14.4 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.84 56.77 0.55 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.004 HG13 ' OE2' ' A' ' 81' ' ' GLU . 87.8 t -129.62 132.44 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.496 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 27.1 mmtt -106.27 160.8 24.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.0 Cg_endo -69.75 150.52 68.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 61.62 41.55 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 1.004 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.8 pt-20 -124.35 160.36 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.5 mt -109.35 131.25 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.12 178.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -140.75 121.33 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' LYS . 35.3 m -129.52 151.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.415 ' OE1' HD11 ' A' ' 23' ' ' ILE . 24.5 mt-10 -113.91 145.02 42.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.726 HG23 HD11 ' A' ' 57' ' ' LEU . 51.8 mt -121.92 142.65 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 6.1 p90 -166.67 159.9 14.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -108.34 139.44 43.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.3 p -70.09 -36.26 74.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -113.36 80.84 4.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -20.19 34.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.15 -33.7 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.2 mt -94.74 -44.56 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.549 ' CD1' HG11 ' A' ' 56' ' ' VAL . 19.5 m-85 -132.3 80.96 62.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.683 0.754 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.4 57.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.344 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 95.0 t -98.99 145.46 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -126.13 163.06 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.403 ' HB3' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.06 133.04 53.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.1 m -65.96 108.81 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.556 ' HA ' HG22 ' A' ' 83' ' ' VAL . 80.6 t -110.08 101.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -76.7 127.48 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.553 HG22 ' CG2' ' A' ' 85' ' ' VAL . 85.6 t -115.57 145.8 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.634 HG22 ' HG2' ' A' ' 28' ' ' GLU . 94.6 t -135.35 126.13 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.851 HD13 HG21 ' A' ' 25' ' ' VAL . 32.8 mt -75.63 128.14 34.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -70.63 -58.6 4.42 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.183 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.515 ' N ' HG22 ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.8 -37.48 9.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.627 2.218 . . . . 0.0 112.372 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.851 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -81.94 -40.17 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.37 4.25 88.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.466 ' NE2' ' HD3' ' A' ' 99' ' ' ARG . 5.0 tt0 -90.4 142.65 27.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.634 ' HG2' HG22 ' A' ' 21' ' ' VAL . 6.0 tm-20 -90.53 150.62 21.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -145.36 126.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.53 120.19 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 tt -146.16 132.05 9.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 14.7 t80 -122.18 158.77 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -89.81 128.8 36.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.2 -28.82 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.87 14.45 7.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.4 m -124.08 134.91 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 pt -48.47 152.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 72' ' ' LEU . 21.4 mt -66.62 -27.97 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -42.09 -61.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' LYS . 13.4 m-85 -36.08 -60.26 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.7 tp -55.72 -40.74 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LYS . 26.0 ttmt -60.17 -45.84 91.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -59.02 -54.57 45.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.549 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 32.6 t-80 -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -88.79 -43.74 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 p -48.71 -47.75 40.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.1 p80 -67.2 -54.85 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.656 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -50.83 -61.23 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.32 -22.21 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.81 -16.42 58.34 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.5 pt -89.98 149.86 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.34 38.66 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -78.19 -18.75 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -53.06 -54.42 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 57' ' ' LEU . 27.3 m -75.85 -43.09 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.627 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.3 tp -65.44 134.57 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.496 ' N ' HD12 ' A' ' 57' ' ' LEU . 15.3 mm-40 -136.27 169.94 16.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.61 137.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -118.36 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.472 ' CB ' HD11 ' A' ' 66' ' ' LEU . 57.8 t80 -133.38 135.62 44.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t 54.99 28.52 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.59 13.73 83.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -118.57 171.53 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.2 mm -109.87 102.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 61' ' ' TYR . 20.3 mt -73.09 168.65 18.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.59 175.33 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.54 -58.16 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.53 -34.01 56.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.31 174.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -150.72 150.76 31.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 39' ' ' LEU . 3.7 mm? -60.4 -47.0 87.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.7 -18.5 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -83.79 -19.01 35.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -97.49 -14.43 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.71 54.34 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.841 HG13 ' OE2' ' A' ' 81' ' ' GLU . 76.0 t -124.79 131.99 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -100.06 156.62 35.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.43 60.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.356 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 66.77 38.73 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.841 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.7 pt-20 -120.39 171.41 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.11 133.1 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 18' ' ' VAL . 18.1 m -137.26 178.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -141.13 117.47 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.553 ' CG2' HG22 ' A' ' 20' ' ' VAL . 30.8 m -122.88 170.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -133.43 146.0 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.627 HG23 ' CD1' ' A' ' 57' ' ' LEU . 42.7 mt -124.02 134.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.9 p90 -161.47 154.98 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -103.63 132.83 49.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.8 p -65.2 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -109.38 79.42 1.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.73 34.33 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.91 -34.56 57.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.7 mt -92.29 -45.78 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -129.97 78.7 74.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.81 41.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.429 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 5.2 t -83.15 134.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -119.55 165.39 14.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.556 ' HG2' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.46 147.59 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -79.65 110.36 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 83' ' ' VAL . 53.6 t -111.3 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 85' ' ' VAL . 50.8 mtmt -71.68 137.61 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 87' ' ' ILE . 87.0 t -115.8 137.23 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.0 t -131.96 126.74 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 25' ' ' VAL . 51.8 mt -79.87 127.04 31.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -70.86 -58.79 4.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.717 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.72 -34.44 14.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.64 2.227 . . . . 0.0 112.387 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.749 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -86.06 -54.7 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.01 10.7 60.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.418 ' HB3' HD12 ' A' ' 22' ' ' LEU . 6.1 tt0 -88.38 143.37 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -92.35 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mt -143.36 132.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -111.38 129.55 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 8.1 tt -150.85 136.06 10.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.647 0.737 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.73 152.53 69.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 2.8 t80 -157.89 152.21 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 124.14 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.16 -17.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -12.79 26.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -94.5 130.05 41.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.4 pt -48.02 165.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 67' ' ' LYS . 9.4 mt -76.1 -32.38 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.6 tmtp? -39.39 -59.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.2 m-85 -35.96 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.6 tp -55.32 -42.98 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -61.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.37 -44.35 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.529 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.63 -61.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -69.79 -54.8 11.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.401 ' OG ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.28 -67.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.812 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.699 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.3 p-80 -45.97 -55.0 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.699 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 2.3 tm? -49.2 -62.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.16 -25.66 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.83 -13.33 62.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 13.2 pt -87.79 148.11 42.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 155.26 66.31 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -5.19 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 p -68.18 -59.28 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.532 HG11 HD21 ' A' ' 91' ' ' ASN . 4.0 m -67.99 -28.57 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD11 HG23 ' A' ' 87' ' ' ILE . 6.2 tp -82.04 144.21 31.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' H ' HD12 ' A' ' 57' ' ' LEU . 11.0 mt-30 -145.18 175.45 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.13 131.7 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -113.42 125.37 54.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.754 ' HB3' HD11 ' A' ' 66' ' ' LEU . 80.1 t80 -140.68 130.3 24.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t 63.4 26.86 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.4 76.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 146.38 44.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.54 126.07 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 61' ' ' TYR . 17.3 mt -91.31 130.69 37.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 39' ' ' LEU . 20.0 tptm -78.91 159.01 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -67.47 -38.18 84.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -80.39 -4.08 52.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 3.7 mm-40 -84.43 134.5 34.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -99.03 150.09 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.5 mm? -56.08 -57.47 12.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.04 -46.49 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.9 -37.08 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -79.78 -18.75 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.83 63.75 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.783 HG13 ' OE2' ' A' ' 81' ' ' GLU . 79.1 t -131.84 124.2 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 111.079 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -91.56 158.05 41.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 151.86 69.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.298 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 60.18 43.06 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.783 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.3 pt-20 -122.81 166.82 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -113.29 126.84 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 18' ' ' VAL . 18.5 m -130.45 -175.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -150.18 118.83 6.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 19' ' ' LYS . 33.7 m -120.79 168.16 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -129.08 133.67 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.566 HG23 HD11 ' A' ' 57' ' ' LEU . 62.4 mt -112.79 128.84 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 10.3 p90 -150.82 163.08 39.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -108.7 136.76 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.437 ' CG2' ' OE1' ' A' ' 58' ' ' GLN . 69.3 p -64.32 -37.73 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.617 HD22 HD12 ' A' ' 94' ' ' LEU . 52.8 p-10 -122.83 87.01 50.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.68 31.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.81 -28.6 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.617 HD12 HD22 ' A' ' 91' ' ' ASN . 37.8 mt -98.42 -49.1 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.472 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 26.8 m-85 -131.83 82.42 60.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.717 0.77 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 151.33 68.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 24.3 t -93.39 114.74 30.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -98.89 167.38 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.517 HD23 ' C ' ' A' ' 33' ' ' PHE . 12.9 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.534 ' HB2' ' HA ' ' A' ' 79' ' ' PRO . . . -107.49 140.16 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m -69.18 112.12 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.04 100.61 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -79.4 122.39 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.532 HG11 HD12 ' A' ' 87' ' ' ILE . 97.9 t -103.83 136.37 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.9 t -125.97 128.08 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.836 HD13 HG21 ' A' ' 25' ' ' VAL . 26.4 mt -77.06 127.26 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -71.99 -58.36 3.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.526 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.8 -27.67 26.0 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.73 2.287 . . . . 0.0 112.29 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.836 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -94.79 -53.59 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.06 62.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' HB3' HD12 ' A' ' 22' ' ' LEU . 17.7 tt0 -75.47 151.91 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -105.15 136.27 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mt -133.3 126.86 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.64 120.48 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.5 tt -141.81 136.89 15.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.76 122.87 9.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.333 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 3.2 t80 -131.46 154.21 48.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.38 150.49 20.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 73' ' ' VAL . 24.2 m -89.06 -14.54 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -31.92 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 m -83.26 139.11 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.472 ' HA ' HG23 ' A' ' 71' ' ' THR . 7.9 pt -53.14 176.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.55 ' CD2' HD21 ' A' ' 72' ' ' LEU . 17.2 mt -86.22 -13.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' TYR . 31.0 ttpt -63.08 -54.91 30.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.4 m-85 -36.03 -53.48 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 18.8 tp -65.09 -40.89 95.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' LYS . 16.9 ttmt -50.35 -48.59 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -55.7 -45.5 77.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 2.4 t60 -44.72 -36.33 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 40.1 m-85 -90.71 -54.52 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' PHE . 23.1 p -37.13 -41.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.9 p80 -77.15 -54.73 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -53.37 -62.59 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.53 -24.0 18.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.34 34.13 30.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 41.0 pt -138.68 150.88 67.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.91 22.28 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.28 . . . . 0.0 112.36 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -56.52 -13.47 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.3 p -57.42 -57.77 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m -72.06 -29.5 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.719 HD11 HG23 ' A' ' 87' ' ' ILE . 9.3 tp -79.37 135.44 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -138.49 163.77 31.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.2 mt -121.67 134.12 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -112.96 128.92 56.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -129.73 128.54 42.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t 58.3 24.96 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.61 -12.49 65.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -93.2 164.37 13.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.8 mm -103.65 107.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 66' ' ' LEU . 4.8 mt -76.14 176.07 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -129.72 167.32 18.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -26.87 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -25.63 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.16 128.81 37.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 38' ' ' ILE . 1.1 m -103.63 150.47 23.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.55 HD21 ' CD2' ' A' ' 39' ' ' LEU . 4.3 mm? -54.2 -47.55 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 35' ' ' VAL . 2.6 m -66.77 -28.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -65.82 -27.37 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -92.91 -18.31 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.64 56.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.69 HG13 ' OE2' ' A' ' 81' ' ' GLU . 89.6 t -124.11 121.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.49 156.74 38.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.534 ' HA ' ' HB2' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.8 158.41 57.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.299 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 63.77 27.19 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.69 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.4 pt-20 -115.01 168.99 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.8 mt -120.26 132.86 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.4 m -134.4 -179.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -141.88 117.24 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.6 m -123.5 157.61 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -121.36 140.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.719 HG23 HD11 ' A' ' 57' ' ' LEU . 37.0 mt -117.91 134.35 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.4 p90 -153.05 167.63 28.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -111.2 127.0 55.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.2 p -54.66 -41.29 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -124.87 86.33 56.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.76 33.56 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.96 -26.94 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.0 mt -102.55 -48.27 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.423 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 47.6 m-85 -131.92 80.87 64.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 158.41 57.13 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.7 118.34 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -105.74 149.46 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.438 ' HG3' HG11 ' A' ' 25' ' ' VAL . 18.7 ttp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.75 137.12 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -70.53 104.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.65 109.23 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -79.97 127.81 32.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.414 ' CG1' HD12 ' A' ' 87' ' ' ILE . 59.4 t -111.34 131.21 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.413 HG22 ' HG2' ' A' ' 28' ' ' GLU . 43.3 t -128.79 130.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 25' ' ' VAL . 32.3 mt -80.6 128.2 33.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -70.83 -58.48 4.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -34.88 13.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.738 2.292 . . . . 0.0 112.294 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.749 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -85.72 -45.19 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.19 0.57 86.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' A' ' 22' ' ' LEU . 14.3 tt0 -77.64 151.6 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HG2' HG22 ' A' ' 21' ' ' VAL . 26.9 mt-10 -105.03 144.56 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.3 mt -142.11 147.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.2 t -124.46 125.14 69.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 tt -153.99 130.12 5.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.8 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.623 2.215 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 16.4 t80 -133.97 149.62 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -78.9 139.2 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 73' ' ' VAL . 15.2 m -87.6 -5.76 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -111.27 5.85 20.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -113.13 128.93 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 40' ' ' LYS . 36.8 pt -41.44 156.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 67' ' ' LYS . 16.2 mt -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' HB2' HD12 ' A' ' 38' ' ' ILE . 18.3 ttpt -43.87 -54.64 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -38.13 -66.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.573 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.7 tp -58.21 -37.26 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -54.74 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -55.96 -42.99 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.593 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.0 t60 -39.06 -45.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 28.1 m-85 -82.09 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.649 ' OG ' HD23 ' A' ' 57' ' ' LEU . 1.5 m -35.57 -61.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.687 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.4 p-80 -52.61 -54.46 32.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 1.7 tm? -51.33 -62.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.42 -16.97 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.57 -26.46 13.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.6 pt -77.02 150.92 81.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.608 0.718 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.4 Cg_endo -69.73 155.56 65.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -77.61 -16.82 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -52.62 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.1 m -70.0 -45.11 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.649 HD23 ' OG ' ' A' ' 47' ' ' SER . 4.9 tp -64.93 139.54 58.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -142.0 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.65 137.75 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -117.28 136.35 53.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.604 ' HB3' HD11 ' A' ' 66' ' ' LEU . 74.9 t80 -154.39 135.4 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m 59.57 26.04 15.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.05 11.62 70.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.07 149.6 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 mm -85.77 121.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.9 mt -90.26 165.77 13.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.591 ' O ' HD12 ' A' ' 39' ' ' LEU . 34.1 mttm -117.81 173.63 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -70.06 -68.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -49.49 -18.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -74.96 132.32 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -102.33 166.05 10.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' H ' HG22 ' A' ' 71' ' ' THR . 3.9 mm? -69.12 -45.44 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 35' ' ' VAL . 8.8 m -58.17 -23.91 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -74.4 -34.68 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.82 -9.84 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 61.4 0.77 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.756 HG13 ' OE2' ' A' ' 81' ' ' GLU . 73.4 t -129.78 129.11 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -97.38 158.25 33.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.04 66.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 61.52 43.28 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.756 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.26 161.34 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.61 129.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 -178.7 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -140.47 121.31 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.3 m -127.75 156.29 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -118.42 149.86 40.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' A' ' 57' ' ' LEU . 43.8 mt -124.83 140.89 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -164.07 157.45 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -101.28 130.13 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 56' ' ' VAL . 43.6 p -56.26 -37.29 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.76 HD22 HD12 ' A' ' 94' ' ' LEU . 52.1 p-10 -126.52 90.6 49.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 54.2 Cg_endo -69.72 -25.07 29.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.39 -29.4 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.76 HD12 HD22 ' A' ' 91' ' ' ASN . 36.6 mt -96.84 -48.46 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 33.1 m-85 -132.22 81.71 60.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.698 0.761 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.18 64.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.4 133.53 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -117.34 178.41 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB1' ' HG2' ' A' ' 81' ' ' GLU . . . -114.5 143.03 45.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 m -77.14 110.72 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -110.27 110.59 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 85' ' ' VAL . 2.4 mtpm? -82.01 128.49 34.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.24 133.22 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -126.73 126.17 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.864 HD13 HG21 ' A' ' 25' ' ' VAL . 28.9 mt -74.41 126.93 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -70.55 -58.2 4.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 111.185 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.77 -37.58 8.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.864 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -81.77 -53.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.98 6.07 59.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.488 ' HB3' HD12 ' A' ' 22' ' ' LEU . 12.2 tt0 -84.37 161.86 20.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 14.5 mt-10 -115.35 141.85 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mt -142.9 128.89 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.0 121.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 tt -144.06 132.58 11.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.48 40.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.1 t80 -142.45 134.71 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.72 140.2 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.08 -37.25 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.45 33.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.2 m -135.79 143.73 45.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.2 pt -56.36 172.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.9 mt -88.42 -33.53 17.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -36.03 -58.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.7 m-85 -36.48 -56.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.26 -35.21 79.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' LYS . 13.7 ttmt -59.33 -61.33 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.7 m-20 -51.8 -47.54 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 44' ' ' ASP . 4.0 t60 -34.73 -43.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 33.0 m-85 -91.12 -54.12 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' PHE . 32.5 t -36.5 -52.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.668 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.6 p-80 -67.49 -54.9 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.668 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -48.18 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -53.22 -23.12 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 18.13 60.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.3 pt -121.56 152.56 58.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.84 58.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -76.7 -13.86 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.6 p -57.5 -21.13 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.9 m -110.55 -31.46 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.494 HD11 HG23 ' A' ' 87' ' ' ILE . 5.9 tp -77.34 133.57 38.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -141.56 170.06 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.3 mt -120.93 148.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.869 HH21 HD11 ' A' ' 65' ' ' ILE . 14.6 ttm180 -124.52 125.21 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -140.83 136.23 32.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 t 56.09 25.18 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.89 8.78 78.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 153.99 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.726 0.298 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.869 HD11 HH21 ' A' ' 60' ' ' ARG . 48.1 mm -90.95 116.12 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.91 165.62 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 48.8 mttt -124.87 127.99 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.9 p-10 -38.32 -65.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.9 -29.42 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 9.0 tt0 -62.91 172.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.17 155.39 50.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -66.49 -37.83 85.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 m -65.61 -24.11 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -76.89 -25.17 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' CD ' ' A' ' 70' ' ' GLU . 85.1 m-70 -88.82 -31.84 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.37 57.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.841 HG13 ' OE2' ' A' ' 81' ' ' GLU . 35.4 t -124.14 139.87 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.168 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -109.49 157.02 38.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.47 47.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 65.66 47.32 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.841 ' OE2' HG13 ' A' ' 77' ' ' VAL . 9.4 pt-20 -122.83 178.2 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.3 mt -127.54 129.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.77 178.89 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -138.32 121.86 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 19' ' ' LYS . 35.0 m -128.37 167.02 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -133.91 129.27 36.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 57' ' ' LEU . 16.1 mt -101.01 145.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -166.75 171.71 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.8 t -113.59 138.65 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.6 p -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.543 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.2 t-20 -126.46 82.73 65.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.34 -29.25 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.543 HD12 ' OD1' ' A' ' 91' ' ' ASN . 26.4 mt -98.21 -50.78 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -133.59 78.7 61.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.689 0.757 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 149.1 66.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.71 133.66 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -130.79 147.39 52.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HG2' HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.769 0.318 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.03 136.79 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 112.23 4.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -113.6 111.54 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 85' ' ' VAL . 51.0 mtmt -88.3 130.43 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.56 HG11 HD12 ' A' ' 87' ' ' ILE . 85.8 t -108.03 137.35 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -128.82 127.16 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.876 HD13 HG21 ' A' ' 25' ' ' VAL . 24.4 mt -81.46 128.11 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -72.21 -58.29 3.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.145 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.5 Cg_endo -69.71 -18.18 37.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.374 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.876 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -106.4 -56.57 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 95.97 1.27 61.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -78.06 139.87 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.18 135.83 34.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.77 134.12 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.08 127.55 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -148.06 128.37 6.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 125.24 11.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.3 t80 -138.59 147.52 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -77.57 165.13 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 73' ' ' VAL . 30.5 m -101.18 -15.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -108.66 30.49 6.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.1 m -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.8 pp -52.43 164.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' LEU . 12.1 mt -88.84 -28.07 20.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HB3' HD13 ' A' ' 38' ' ' ILE . 23.6 ttpt -36.35 -34.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.742 ' CD2' HD11 ' A' ' 38' ' ' ILE . 30.0 m-85 -68.59 -45.26 72.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 18.6 tp -73.0 -21.3 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -80.94 -48.22 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -58.82 -25.7 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.427 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.9 t60 -68.41 -48.94 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -73.85 -38.38 64.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -55.2 -64.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -50.53 -54.79 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.654 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -51.52 -61.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.92 -29.71 56.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.1 54.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 32.8 pt -93.98 152.09 40.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.758 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 153.81 68.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -75.62 -22.65 56.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 t -44.66 -47.36 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.3 m -84.35 -42.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.645 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.0 tp -66.38 133.08 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -135.07 175.74 9.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.7 mt -130.56 127.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.8 123.55 50.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CB ' HD11 ' A' ' 66' ' ' LEU . 44.8 t80 -129.32 126.64 39.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 t 55.28 33.6 21.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.87 -3.22 76.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -95.16 167.24 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.47 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 75' ' ' HIS . 19.0 mt -62.94 134.13 55.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 39' ' ' LEU . 52.8 mttp -101.89 177.68 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -73.87 -52.1 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -68.95 -8.64 46.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 67' ' ' LYS . 20.5 mm-40 -76.07 170.52 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.24 146.87 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 72' ' ' LEU . 3.1 mm? -57.6 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.6 m -49.97 -38.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -62.41 -31.26 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 66' ' ' LEU . 21.7 m-70 -85.6 -16.1 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.23 62.61 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.023 HG13 ' OE2' ' A' ' 81' ' ' GLU . 55.8 t -132.33 130.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -98.73 158.51 32.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 147.36 62.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.697 2.265 . . . . 0.0 112.383 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 62.01 39.63 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 1.023 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.51 160.21 26.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.26 138.43 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.49 -177.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -145.45 114.62 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 19' ' ' LYS . 19.8 m -118.5 166.55 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -128.71 142.65 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.645 HG23 ' CD1' ' A' ' 57' ' ' LEU . 35.1 mt -119.2 132.41 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.4 p90 -155.92 163.49 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -110.53 123.56 50.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.2 p -56.79 -34.91 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -114.85 79.43 5.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.47 36.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -77.94 -34.51 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.26 -46.96 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 39.5 m-85 -132.78 78.08 67.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.52 66.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.482 HG11 HD22 ' A' ' 22' ' ' LEU . 49.6 t -83.2 155.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.454 ' N ' HG12 ' A' ' 97' ' ' VAL . 10.1 ptp180 -145.15 145.31 31.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 15' ' ' LEU . 14.3 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.34 129.99 54.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -68.36 106.54 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.53 108.37 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -80.08 130.32 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -106.59 141.38 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -135.23 128.12 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.926 HD13 HG21 ' A' ' 25' ' ' VAL . 28.8 mt -82.83 130.36 35.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -70.9 -58.51 4.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.521 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.84 -36.49 10.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.295 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.926 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -83.45 -44.71 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 1.13 90.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -76.11 169.13 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -121.03 134.0 55.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -135.04 129.11 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -106.3 127.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.511 HD13 HD11 ' A' ' 42' ' ' LEU . 4.8 tt -150.79 131.53 7.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 144.0 52.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 4.0 t80 -146.22 149.57 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 117.51 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 73' ' ' VAL . 35.5 m -53.99 -25.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.43 -40.09 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -65.08 125.96 26.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.7 pt -46.58 173.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 66' ' ' LEU . 14.2 mt -79.5 -33.19 42.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HZ1' ' CE1' ' A' ' 54' ' ' HIS . 16.4 tptp -43.88 -57.82 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.2 m-85 -36.1 -55.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 15.9 tp -65.96 -39.34 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -47.18 -52.89 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.19 -41.64 84.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -42.63 -38.64 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 21.6 m-85 -92.75 -55.03 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 8.8 p -34.31 -60.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.5 p-80 -56.63 -54.25 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.641 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.19 -60.73 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.593 HD13 HG13 ' A' ' 97' ' ' VAL . 72.4 mt -59.16 -31.05 68.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.51 38.97 7.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 pt -140.99 153.05 66.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.719 ' O ' HG22 ' A' ' 56' ' ' VAL . 53.4 Cg_endo -69.73 106.43 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.625 2.216 . . . . 0.0 112.343 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.45 ' CE1' ' HZ1' ' A' ' 40' ' ' LYS . 19.2 p80 -36.62 -32.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' PRO . 78.4 p -41.1 -44.92 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 53' ' ' PRO . 13.0 m -76.92 -32.6 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.874 HD11 HG23 ' A' ' 87' ' ' ILE . 6.1 tp -77.59 155.31 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.431 ' H ' HD12 ' A' ' 57' ' ' LEU . 13.8 mm100 -147.46 177.64 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.47 133.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -115.08 125.97 54.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.455 ' CD2' ' HE3' ' A' ' 64' ' ' LYS . 18.1 t80 -128.24 126.75 41.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t 50.04 25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.5 24.48 53.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' CD2' ' A' ' 61' ' ' TYR . 4.5 ptpt -124.37 154.48 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.298 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.21 114.86 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.441 HD13 HD11 ' A' ' 39' ' ' LEU . 49.7 mt -89.09 158.91 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -116.13 164.0 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.4 p-10 -56.59 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.78 -27.48 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -49.64 158.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.427 ' CG2' HG22 ' A' ' 73' ' ' VAL . 2.2 m -137.62 143.65 41.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.7 mm? -55.55 -40.49 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 35' ' ' VAL . 23.8 m -67.67 -34.77 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.86 -34.88 73.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -82.95 -25.22 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.72 55.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.835 HG13 ' OE2' ' A' ' 81' ' ' GLU . 69.5 t -119.11 131.95 70.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.158 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 154.72 36.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.709 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.02 67.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 64.74 35.05 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.835 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.8 pt-20 -114.47 173.02 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.82 132.26 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 m -137.82 -179.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -146.82 113.21 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.18 161.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.72 141.43 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.874 HG23 HD11 ' A' ' 57' ' ' LEU . 20.1 mt -117.71 138.81 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.792 ' O ' HD12 ' A' ' 57' ' ' LEU . 36.3 p90 -161.42 177.1 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 7.8 t -116.86 136.05 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -66.29 -37.85 86.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.688 ' OD1' HD12 ' A' ' 94' ' ' LEU . 1.3 t-20 -125.61 83.01 62.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.03 37.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.28 -18.99 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.688 HD12 ' OD1' ' A' ' 91' ' ' ASN . 20.5 mt -112.93 -43.64 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CD1' HG11 ' A' ' 56' ' ' VAL . 27.2 m-85 -134.53 82.42 45.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.712 0.767 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.71 48.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.593 HG13 HD13 ' A' ' 50' ' ' LEU . 11.0 t -107.01 142.52 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.431 ' H ' HD22 ' A' ' 50' ' ' LEU . 48.3 mtp180 -129.85 159.06 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.738 ' HB3' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.849 0.357 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.94 149.7 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.059 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.1 m -73.17 98.62 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.558 ' HA ' HG22 ' A' ' 83' ' ' VAL . 66.4 t -105.85 109.34 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -77.96 131.33 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.532 ' CG1' HD12 ' A' ' 87' ' ' ILE . 76.3 t -119.01 118.96 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.665 HG22 ' HG3' ' A' ' 28' ' ' GLU . 84.0 t -115.64 129.64 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.752 HD13 HG21 ' A' ' 25' ' ' VAL . 26.5 mt -78.88 126.71 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.7 mm -69.62 -57.97 6.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.72 -36.39 10.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.752 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -84.58 -47.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.84 -6.11 81.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.88 142.74 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.665 ' HG3' HG22 ' A' ' 21' ' ' VAL . 2.2 tt0 -93.25 153.13 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.426 HG13 ' C ' ' A' ' 28' ' ' GLU . 26.8 mt -146.57 126.79 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -106.48 119.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' ILE . 16.5 tt -147.08 130.76 8.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.4 4.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.6 t80 -113.29 144.66 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -76.68 125.13 28.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.89 -34.98 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.75 -31.77 68.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 41' ' ' TYR . 3.7 m -75.43 132.25 40.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 pt -47.1 173.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 66' ' ' LEU . 15.0 mt -75.96 -29.06 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' LYS . 15.3 tttt -48.87 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.451 ' HB2' ' CG2' ' A' ' 37' ' ' THR . 7.1 m-85 -35.17 -42.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 34.3 tp -64.5 -47.43 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' ILE . 5.5 ptpt -71.89 -20.88 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.41 -26.93 56.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.501 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 35.9 t-80 -71.31 -28.96 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -93.71 -30.96 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.2 p -60.14 -30.59 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.635 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 6.0 p-80 -85.17 -54.59 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 49' ' ' LEU . 1.3 tm? -51.08 -55.37 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.42 -33.44 75.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.44 -13.45 61.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.8 pt -89.21 150.03 44.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.3 Cg_endo -69.7 164.19 35.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -85.19 -13.1 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -57.78 -43.89 85.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.601 HG21 ' HB2' ' A' ' 95' ' ' TYR . 20.8 m -85.84 -32.33 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 87' ' ' ILE . 6.7 tp -78.5 151.17 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.423 ' H ' HD12 ' A' ' 57' ' ' LEU . 15.7 mm-40 -149.72 178.19 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 43' ' ' LYS . 73.7 mt -128.94 141.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -120.7 124.42 45.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.882 ' HB3' HD11 ' A' ' 66' ' ' LEU . 89.9 t80 -140.75 133.3 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t 54.54 29.08 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 13.44 60.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.52 130.74 53.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.85 120.42 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.882 HD11 ' HB3' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -96.06 155.0 16.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -111.62 165.72 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -59.98 -45.32 93.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -58.91 -28.95 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.39 139.08 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -120.0 148.24 43.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.6 mm? -49.69 -56.83 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.5 m -51.77 -39.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.11 -29.75 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -84.14 -16.02 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.06 50.84 0.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.682 HG13 ' OE2' ' A' ' 81' ' ' GLU . 85.1 t -121.87 122.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 156.12 39.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.57 67.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.355 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 67.96 26.93 7.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.682 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.2 pt-20 -115.98 166.23 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -110.22 137.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 18' ' ' VAL . 13.6 m -137.15 -176.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -146.56 117.42 7.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 m -128.22 147.13 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -112.36 138.57 48.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 57' ' ' LEU . 66.2 mt -116.28 145.35 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.2 p90 -166.53 159.11 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -102.91 133.12 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.3 p -60.14 -41.64 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -123.41 87.9 51.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.87 -32.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.8 mt -98.77 -48.68 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.601 ' HB2' HG21 ' A' ' 56' ' ' VAL . 32.1 m-85 -126.87 80.56 70.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 154.39 67.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 57.0 t -95.74 118.25 41.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.49 179.56 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.485 ' HB2' HG11 ' A' ' 25' ' ' VAL . 21.8 ttt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.819 0.343 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.15 132.54 54.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.2 m -65.26 97.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.521 ' HA ' HG22 ' A' ' 83' ' ' VAL . 80.6 t -100.39 109.61 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.623 ' O ' HG22 ' A' ' 85' ' ' VAL . 29.8 mtmm -78.96 143.16 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.9 t -126.34 124.23 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.525 HG22 ' HG2' ' A' ' 28' ' ' GLU . 64.6 t -119.7 126.79 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.648 HD13 HG21 ' A' ' 25' ' ' VAL . 27.1 mt -77.54 128.04 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.03 -58.8 3.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.3 Cg_endo -69.82 -35.27 12.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.648 HG21 HD13 ' A' ' 22' ' ' LEU . 2.6 t -85.13 -53.37 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.12 4.63 64.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HB3' HD12 ' A' ' 22' ' ' LEU . 25.6 tt0 -84.02 143.6 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.525 ' HG2' HG22 ' A' ' 21' ' ' VAL . 15.4 mt-10 -94.68 141.07 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.2 mt -139.41 142.12 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -123.44 130.53 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 42' ' ' LEU . 2.3 tt -152.5 132.35 7.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.27 13.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.285 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.4 t80 -127.07 164.33 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -100.25 131.04 46.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 73' ' ' VAL . 17.9 m -73.8 -20.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -98.61 21.67 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.8 m -131.03 128.93 41.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 pt -43.62 156.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD21 HD11 ' A' ' 72' ' ' LEU . 30.6 mt -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 13.8 tptt -41.34 -58.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -34.88 -61.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -59.05 -40.01 83.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.7 ttmt -55.94 -62.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.97 -30.31 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.475 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.1 t60 -59.85 -39.81 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -85.74 -34.01 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p -58.38 -37.19 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.7 p-80 -78.41 -54.84 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -54.12 -62.36 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.13 -37.87 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.3 -4.55 44.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 15.0 pt -100.95 147.54 33.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.745 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.31 50.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -82.99 9.48 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -87.5 -8.06 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.16 -24.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.52 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.3 tp -84.67 131.34 34.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -135.4 154.53 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.2 148.3 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -128.04 126.39 41.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.809 ' HB3' HD11 ' A' ' 66' ' ' LEU . 80.2 t80 -136.5 135.76 38.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.5 t 57.1 25.54 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.803 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.33 9.55 85.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 146.79 49.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.52 142.6 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.809 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.3 mt -117.84 155.32 30.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -99.01 160.14 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -71.2 -45.12 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -59.13 -25.48 63.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.58 -178.23 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 1.4 m -145.13 164.04 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.1 mm? -68.47 -35.81 78.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 35' ' ' VAL . 20.8 m -69.45 -16.3 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 71' ' ' THR . 49.3 mt-30 -83.91 -16.96 42.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -102.46 -12.3 17.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.67 59.48 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.413 HG13 ' OE2' ' A' ' 81' ' ' GLU . 72.9 t -128.2 120.7 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.943 0.402 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -90.83 157.57 43.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.64 63.67 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 64.21 47.61 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.413 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.6 pt-20 -130.77 163.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.1 mt -106.03 132.17 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 18' ' ' VAL . 12.6 m -135.47 166.63 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -130.86 114.79 15.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 19' ' ' LYS . 31.1 m -122.11 163.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -121.35 152.1 39.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.52 HG23 ' CD1' ' A' ' 57' ' ' LEU . 15.0 mt -131.09 139.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -163.0 169.48 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.0 t -114.06 122.33 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -46.6 -38.75 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -127.96 86.26 58.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -11.88 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.51 -31.05 63.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.64 -50.56 4.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 55.4 m-85 -128.45 80.99 71.51 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.7 38.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.61 ' CG1' HD22 ' A' ' 22' ' ' LEU . 45.1 t -76.0 121.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -99.68 165.19 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.411 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.7 ptt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.45 153.58 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -82.36 109.18 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.74 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.51 ' O ' HG22 ' A' ' 85' ' ' VAL . 92.1 mttt -78.65 123.34 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.786 ' CG1' HD12 ' A' ' 87' ' ' ILE . 78.9 t -101.24 126.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.444 HG22 ' HG2' ' A' ' 28' ' ' GLU . 54.2 t -115.88 134.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 25' ' ' VAL . 37.2 mt -88.72 127.43 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -72.05 -58.57 3.23 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.733 . . . . 0.0 111.159 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.82 -27.74 25.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.821 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -94.51 -54.25 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.89 63.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -76.97 155.72 32.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG2' HG22 ' A' ' 21' ' ' VAL . 35.2 mt-10 -111.83 133.42 54.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -133.96 126.51 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.2 t -99.89 116.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HD2' ' A' ' 32' ' ' PRO . 1.8 tp -129.32 133.46 25.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.447 ' HD2' HD12 ' A' ' 31' ' ' ILE . 53.3 Cg_endo -69.76 113.23 3.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -126.35 156.33 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -88.93 162.23 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.7 m -99.06 -31.18 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.95 25.8 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -130.15 138.33 50.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 pt -56.23 150.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.16 -21.07 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -49.3 -49.69 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -47.06 -56.33 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 20.7 tp -62.53 -33.03 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -57.82 -70.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -39.11 -36.48 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.45 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 3.7 t60 -51.08 -58.95 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -76.56 -35.93 57.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.539 ' H ' ' HG ' ' A' ' 47' ' ' SER . 0.7 OUTLIER -54.83 -49.15 71.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -68.3 -54.92 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.661 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -50.84 -59.93 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.51 -26.95 45.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.48 25.22 31.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 38.0 pt -130.61 150.66 76.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.658 0.742 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.73 36.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.56 -19.7 27.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -54.77 -59.08 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.598 HG21 ' HB2' ' A' ' 95' ' ' TYR . 18.2 m -69.3 -28.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.739 HD11 HG23 ' A' ' 87' ' ' ILE . 11.1 tp -81.72 142.72 32.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -143.6 171.68 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.1 mt -130.71 134.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -114.78 137.07 52.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CB ' HD11 ' A' ' 66' ' ' LEU . 65.2 t80 -144.67 125.09 13.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 64.33 26.05 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.26 -9.72 66.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -93.99 161.9 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.9 mm -102.14 99.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 75' ' ' HIS . 21.6 mt -69.11 163.46 24.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 24.0 mtpt -129.79 166.43 19.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.427 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.4 p-10 -59.89 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.427 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 4.3 t30 -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 67' ' ' LYS . 27.0 mt-10 -55.26 160.68 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.16 150.09 51.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.27 -55.91 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.98 -46.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.24 -31.05 13.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.653 ' CE1' HD22 ' A' ' 66' ' ' LEU . 97.0 m-70 -84.82 -28.74 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.03 57.91 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.819 HG13 ' OE2' ' A' ' 81' ' ' GLU . 96.7 t -121.98 121.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -86.17 155.7 57.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.5 48.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 62.36 39.97 11.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.819 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.6 pt-20 -118.33 163.94 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.7 mt -107.58 118.73 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.98 -175.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -142.1 122.29 13.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 19' ' ' LYS . 33.4 m -128.25 171.8 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -133.28 153.17 51.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.786 HD12 ' CG1' ' A' ' 20' ' ' VAL . 72.1 mt -129.79 137.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.5 p90 -163.29 167.55 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -114.72 142.25 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -67.25 -31.54 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -132.12 85.3 50.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -11.0 29.83 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.71 -31.46 61.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.99 -51.83 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.598 ' HB2' HG21 ' A' ' 56' ' ' VAL . 39.4 m-85 -126.69 81.29 69.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.684 0.754 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 153.89 68.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.3 t -96.58 141.3 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -132.27 169.56 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.464 ' CD ' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.48 140.24 52.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -72.05 97.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.498 ' HA ' HG22 ' A' ' 83' ' ' VAL . 54.9 t -102.49 111.57 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' HG22 ' A' ' 85' ' ' VAL . 53.3 mttm -79.29 128.47 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.581 ' CG1' HD12 ' A' ' 87' ' ' ILE . 97.8 t -111.17 123.43 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 28' ' ' GLU . 51.8 t -120.96 128.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.791 HD13 HG21 ' A' ' 25' ' ' VAL . 37.9 mt -80.44 126.96 31.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -70.52 -58.69 4.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.73 -34.81 13.91 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.791 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -85.94 -46.52 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.4 83.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.523 ' HB3' HD12 ' A' ' 22' ' ' LEU . 22.1 tt0 -70.67 153.62 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.453 ' HG2' HG22 ' A' ' 21' ' ' VAL . 31.9 mt-10 -111.22 140.75 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 30' ' ' VAL . 80.0 mt -136.19 153.15 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.43 ' N ' HG22 ' A' ' 29' ' ' ILE . 85.4 t -132.98 113.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.56 128.59 10.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 124.87 11.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.8 t80 -126.37 135.8 51.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -62.8 133.43 54.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -73.71 -37.95 50.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.54 35.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.4 m -137.19 139.62 41.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.5 pp -51.55 169.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 67' ' ' LYS . 10.1 mt -91.53 -28.12 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.0 tttm -33.14 -71.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.873 ' CD2' HD11 ' A' ' 38' ' ' ILE . 42.0 m-85 -36.48 -64.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 23.2 tp -48.17 -36.32 13.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' LYS . 25.5 ttmt -68.6 -60.04 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.85 -25.59 20.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -62.77 -38.09 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -89.33 -33.37 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 3.7 p -58.42 -58.63 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.649 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.7 p-80 -57.75 -53.85 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.649 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -51.79 -58.4 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 mt -57.68 -20.44 33.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.51 5.16 75.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.76 151.18 46.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.28 57.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.45 -19.41 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -53.15 -38.07 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 57' ' ' LEU . 33.0 m -90.46 -45.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 56' ' ' VAL . 3.3 tp -66.81 140.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' N ' HD12 ' A' ' 57' ' ' LEU . 5.4 mm-40 -141.79 171.68 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.416 HD12 ' HE3' ' A' ' 43' ' ' LYS . 20.1 mt -128.62 147.12 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -122.7 139.6 53.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.538 ' HB3' HD21 ' A' ' 66' ' ' LEU . 68.3 t80 -154.93 130.47 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 58.44 25.15 12.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.07 5.45 75.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -119.19 139.21 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.711 0.291 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.39 116.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 61' ' ' TYR . 6.2 mt -78.54 161.75 26.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.612 ' O ' HD12 ' A' ' 39' ' ' LEU . 32.6 tttm -112.75 165.25 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -71.15 -49.58 42.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -69.41 -2.92 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 24.2 mm-40 -83.87 160.07 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.44 148.2 45.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.486 HD21 ' CD2' ' A' ' 39' ' ' LEU . 4.2 mm? -58.91 -44.95 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 m -65.58 -26.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.71 -25.62 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -92.21 -39.98 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.92 61.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.815 HG13 ' OE2' ' A' ' 81' ' ' GLU . 61.6 t -131.34 133.71 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -103.3 157.61 33.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 147.71 63.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 58.5 44.38 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.815 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.8 pt-20 -121.13 168.28 11.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.7 mt -116.71 124.81 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 18' ' ' VAL . 3.4 m -128.39 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -145.34 115.48 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 19' ' ' LYS . 18.7 m -125.26 145.98 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -108.37 138.83 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.581 HD12 ' CG1' ' A' ' 20' ' ' VAL . 38.9 mt -111.15 142.99 21.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 3.5 p90 -164.64 163.34 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 t -114.78 142.86 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.4 p -73.64 -37.22 65.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -111.23 80.84 2.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -36.47 10.75 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.08 -39.0 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.28 -51.73 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.475 ' CD1' HG11 ' A' ' 56' ' ' VAL . 64.3 m-85 -125.64 80.93 65.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.81 28.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.46 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 40.6 t -74.76 118.5 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.19 177.81 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.8 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.1 156.73 46.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 m -85.91 108.79 18.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -109.33 101.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.26 129.64 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.43 131.38 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.28 131.44 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.827 HD13 HG21 ' A' ' 25' ' ' VAL . 55.8 mt -84.43 127.05 33.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -72.51 -58.2 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.709 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -22.25 32.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.637 2.224 . . . . 0.0 112.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.827 HG21 HD13 ' A' ' 22' ' ' LEU . 2.7 t -101.73 -57.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 99.02 6.22 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.533 ' HB3' HD12 ' A' ' 22' ' ' LEU . 8.9 tt0 -81.06 148.75 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -106.33 131.19 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -127.79 150.47 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.47 126.25 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 6.5 tt -153.23 135.96 9.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.71 139.97 41.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 7.4 t80 -148.23 154.56 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 4.9 mptt -80.94 138.26 36.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.617 ' O ' HG13 ' A' ' 73' ' ' VAL . 26.1 m -83.89 -22.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.65 9.98 42.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.6 m -115.93 140.25 49.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.826 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.6 pp -47.46 172.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.6 mt -91.48 -29.23 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HB3' HD13 ' A' ' 38' ' ' ILE . 20.0 tptt -32.14 -71.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.826 ' CD2' HD11 ' A' ' 38' ' ' ILE . 44.1 m-85 -34.07 -45.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 19.1 tp -70.59 -43.43 69.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 40' ' ' LYS . 8.2 ttmm -53.37 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' HIS . 38.3 m-20 -48.32 -49.08 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' ASP . 3.7 t60 -34.61 -39.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 45.0 m-85 -90.82 -55.09 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' PHE . 15.3 m -37.04 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.4 p-80 -46.3 -54.19 9.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.655 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.52 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.61 -26.87 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.85 17.05 49.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 33.7 pt -122.43 151.53 59.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.21 47.54 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -67.0 -12.26 59.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -57.54 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 95' ' ' TYR . 30.3 m -73.21 -36.36 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.582 HD11 HG23 ' A' ' 87' ' ' ILE . 8.8 tp -69.9 139.63 53.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -137.33 169.07 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.6 mt -131.43 123.94 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -109.52 131.71 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -138.81 125.35 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t 55.45 29.41 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.45 15.4 81.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.08 155.97 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -97.01 102.21 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -69.83 -177.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 39' ' ' LEU . 27.7 mttp -164.92 178.6 7.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.96 -71.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.57 -26.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 148.24 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.54 161.63 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -64.43 -44.5 91.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 35' ' ' VAL . 27.2 m -66.73 -21.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -76.43 -25.82 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -91.69 -21.28 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.76 52.13 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.78 HG13 ' OE2' ' A' ' 81' ' ' GLU . 78.2 t -125.56 135.86 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.06 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -107.67 160.58 26.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.519 0.676 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.19 59.25 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 62.62 41.14 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.78 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.5 pt-20 -125.45 161.71 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.52 134.03 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.93 -177.49 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -144.04 119.89 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.82 162.37 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -121.87 139.7 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.582 HG23 HD11 ' A' ' 57' ' ' LEU . 19.9 mt -117.96 140.99 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.8 p90 -163.46 173.3 13.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 t -119.65 135.88 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.1 p -63.75 -36.84 85.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -128.33 86.96 56.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -17.53 37.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.22 -37.82 81.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.2 mt -90.04 -53.35 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.504 ' HB2' HG21 ' A' ' 56' ' ' VAL . 27.1 m-85 -126.95 78.61 73.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.682 0.753 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 141.06 44.04 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.477 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 42.8 t -77.13 142.65 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -121.15 -176.39 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.525 ' HB2' HG11 ' A' ' 25' ' ' VAL . 13.4 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p -115.91 131.7 56.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -144.61 111.53 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.36 -60.74 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -42.52 128.34 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -163.57 126.97 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.87 -148.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -128.7 123.56 33.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -171.51 118.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.1 t -125.82 83.79 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -151.76 164.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.17 40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -81.42 -32.39 32.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 m -109.97 -43.72 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD21 ' HD2' ' A' ' 34' ' ' LYS . 12.6 mt -44.63 133.67 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 81' ' ' GLU . . . -121.19 163.29 18.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -87.26 110.92 20.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.95 109.72 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -81.93 136.76 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.526 ' CG1' HD12 ' A' ' 87' ' ' ILE . 63.2 t -116.75 131.65 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.96 127.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.764 HD13 HG21 ' A' ' 25' ' ' VAL . 34.7 mt -77.25 127.6 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.6 mm -70.93 -58.38 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.688 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.73 -33.88 15.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.749 2.299 . . . . 0.0 112.317 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.764 HG21 HD13 ' A' ' 22' ' ' LEU . 2.6 t -87.03 -46.86 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.52 83.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' HB3' HD12 ' A' ' 22' ' ' LEU . 6.5 tt0 -70.12 174.07 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -129.6 129.5 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.0 mt -136.29 132.53 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -113.29 131.29 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.47 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 3.5 tt -151.8 136.39 10.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.75 135.5 30.63 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -141.62 143.55 33.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HD2' HD21 ' A' ' 15' ' ' LEU . 1.3 mptm? -73.66 142.22 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 73' ' ' VAL . 33.3 m -79.56 -18.18 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -92.39 -21.38 20.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.2 m -83.58 132.81 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.4 pt -52.3 166.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 66' ' ' LEU . 14.0 mt -73.97 -43.72 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.5 ttpp -35.33 -60.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -36.0 -48.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 24.5 tp -71.36 -36.53 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.6 ttpp -67.52 -65.96 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' LYS . 22.3 t70 -34.92 -32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LYS . 5.3 t60 -60.88 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -50.32 -34.81 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -56.34 -68.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.2 p-80 -49.14 -54.75 14.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.663 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.3 tm? -49.61 -53.92 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 98' ' ' ARG . 19.6 mt -64.83 -26.4 68.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.02 12.85 59.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.5 pt -118.79 149.51 46.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.6 Cg_endo -69.74 160.08 51.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -85.32 -16.95 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -55.28 -23.84 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG21 ' HB2' ' A' ' 95' ' ' TYR . 35.4 m -106.82 -31.77 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 87' ' ' ILE . 11.3 tp -79.6 136.5 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' N ' HD12 ' A' ' 57' ' ' LEU . 7.1 mt-30 -138.48 179.83 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 60' ' ' ARG . 29.7 mt -130.14 159.19 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.509 HH21 HD11 ' A' ' 65' ' ' ILE . 20.4 ttm180 -136.9 138.91 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.528 ' CB ' HD11 ' A' ' 66' ' ' LEU . 72.7 t80 -150.08 125.3 10.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.3 p 56.29 38.73 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.22 20.77 69.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -120.57 162.99 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.509 HD11 HH21 ' A' ' 60' ' ' ARG . 40.0 mm -103.27 102.77 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.528 HD11 ' CB ' ' A' ' 61' ' ' TYR . 61.3 mt -74.14 141.99 45.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -97.11 162.09 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -62.84 -55.54 25.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.77 -5.79 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.66 156.75 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.97 158.97 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.5 mm? -65.51 -43.69 89.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 35' ' ' VAL . 15.7 m -63.35 -19.63 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.5 -33.16 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.449 ' CD2' HD22 ' A' ' 66' ' ' LEU . 12.5 m-70 -86.23 -18.94 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.88 60.16 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.915 HG13 ' OE2' ' A' ' 81' ' ' GLU . 85.7 t -129.69 126.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.502 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 20.6 mmtp -95.48 160.73 29.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.502 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.6 Cg_endo -69.66 153.91 68.78 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 58.82 43.79 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.915 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.8 pt-20 -126.3 163.19 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.87 134.9 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.4 177.71 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -139.98 124.58 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.4 153.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 57' ' ' LEU . 49.7 mt -119.81 146.58 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.9 p90 -166.77 164.28 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 t -116.24 134.34 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.1 p -61.92 -40.35 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -111.66 81.75 3.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -36.15 11.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -61.95 -36.81 82.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.3 mt -89.79 -52.67 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.466 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m-85 -125.58 80.63 65.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.713 0.768 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.3 60.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 48.0 t -97.13 125.76 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.51 ' H ' HD22 ' A' ' 50' ' ' LEU . 17.2 mmm180 -112.93 175.01 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.761 ' HG3' HG11 ' A' ' 25' ' ' VAL . 44.8 mtm180 -76.64 154.45 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.3 mm -80.85 150.37 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -125.35 142.31 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.27 -45.61 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.3 tp -130.63 158.31 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.7 m -123.61 103.25 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -101.87 165.11 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 m -137.42 155.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -143.56 175.68 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -138.21 170.03 16.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 6.9 tt -174.15 160.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -160.39 149.17 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -148.0 147.72 29.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.3 t -97.36 134.48 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.1 t -88.5 172.08 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.52 145.44 27.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -175.66 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.1 t -63.69 -178.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.4 m -90.33 -58.9 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -73.69 99.44 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -172.05 139.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.79 147.46 13.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -58.42 141.28 51.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -56.46 -48.02 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.55 67.29 2.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -71.1 111.27 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -81.64 -51.72 7.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m 55.91 54.54 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.25 115.97 48.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -98.31 88.77 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.1 116.45 4.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m 63.79 43.43 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 ' CD ' ' A' ' 34' ' ' LYS . 12.2 mt -88.23 144.13 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.69 149.29 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.4 m -79.16 98.34 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.84 114.61 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 85' ' ' VAL . 39.2 mtmt -88.21 138.16 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 87' ' ' ILE . 57.8 t -121.68 130.74 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.9 t -123.95 128.54 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 25' ' ' VAL . 41.6 mt -78.44 126.45 30.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.8 -58.4 3.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.671 0.748 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.8 -21.26 33.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.71 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -103.16 -58.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 103.24 -5.1 48.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.592 ' HB3' HD12 ' A' ' 22' ' ' LEU . 13.2 tt0 -70.04 156.11 39.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -111.95 136.88 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.13 139.39 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.02 125.71 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -149.1 133.65 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HB2' HD22 ' A' ' 15' ' ' LEU . 54.1 Cg_endo -69.72 127.2 14.28 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.351 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 4.3 t80 -128.0 141.08 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.521 ' CD ' HD21 ' A' ' 15' ' ' LEU . 1.6 mppt? -80.47 122.02 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 ' HB ' HG13 ' A' ' 73' ' ' VAL . 32.5 m -58.38 -22.84 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 p30 -89.56 -9.06 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.7 m -94.29 125.18 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -46.78 167.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 15.0 mt -74.98 -40.48 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 30.1 tttp -36.58 -57.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.0 m-85 -36.29 -58.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.3 tp -58.09 -41.62 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -56.67 -52.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.595 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.3 t60 -48.89 -34.78 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 37.0 m-85 -91.12 -64.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' PHE . 2.0 t -34.53 -50.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.698 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.0 p-80 -61.56 -52.53 64.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.698 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -60.25 -62.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' HG ' HD11 ' A' ' 100' ' ' ILE . 37.3 mt -48.82 -24.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.36 -26.09 24.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 28.8 pt -83.9 151.04 60.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.8 Cg_endo -69.8 148.9 65.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -69.88 -16.69 63.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -53.33 -59.93 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 95' ' ' TYR . 31.2 m -70.18 -40.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 87' ' ' ILE . 5.5 tp -66.38 138.61 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.24 166.46 25.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 60' ' ' ARG . 94.1 mt -120.94 159.61 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.54 ' N ' HG22 ' A' ' 59' ' ' ILE . 12.1 ttp180 -135.58 127.22 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.736 ' HB3' HD11 ' A' ' 66' ' ' LEU . 79.5 t80 -142.87 125.32 15.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t 68.75 29.68 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.78 2.09 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 145.12 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.6 mm -79.98 123.59 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 61' ' ' TYR . 7.5 mt -88.91 178.97 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -133.04 179.23 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -75.94 -60.06 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -57.05 -12.74 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.28 138.85 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -113.31 149.06 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.4 mm? -55.26 -48.11 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 35' ' ' VAL . 2.8 m -60.31 -34.77 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.87 -26.98 68.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -87.08 -28.08 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.36 51.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.828 HG13 ' OE2' ' A' ' 81' ' ' GLU . 59.5 t -123.61 127.32 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.372 . . . . 0.0 111.106 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 28.9 mmtm -101.22 160.73 25.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.549 0.69 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 53.7 Cg_endo -69.78 149.43 66.76 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 66.07 44.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.828 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.0 pt-20 -129.52 160.19 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mt -111.17 125.27 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.75 175.75 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -140.39 128.13 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 19' ' ' LYS . 10.3 m -135.27 148.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.42 138.22 48.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 57' ' ' LEU . 20.1 mt -111.08 141.68 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -158.74 174.0 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -126.67 135.17 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -68.81 -39.57 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.448 ' OD1' HD12 ' A' ' 94' ' ' LEU . 4.6 m-80 -109.78 81.02 1.83 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.63 24.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -40.6 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.448 HD12 ' OD1' ' A' ' 91' ' ' ASN . 33.0 mt -86.78 -50.45 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.568 ' HB2' HG21 ' A' ' 56' ' ' VAL . 28.9 m-85 -127.53 79.44 73.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 154.97 66.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.471 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 60.2 t -93.44 140.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -123.56 -179.98 4.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -97.63 155.16 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.446 HD11 ' HG ' ' A' ' 50' ' ' LEU . 65.1 mt -130.34 133.52 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -123.96 90.04 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.574 ' C ' HD23 ' A' ' 103' ' ' LEU . . . -103.24 -15.02 24.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.806 ' N ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -138.54 158.75 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.92 0.39 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -69.18 146.15 52.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -88.04 171.57 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 106' ' ' VAL . 11.1 p -100.79 119.86 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.0 m -166.77 174.65 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -105.29 -36.05 7.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 9.7 tp -169.86 146.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' THR . 4.6 tp -136.42 138.4 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 110' ' ' ILE . 3.8 p -34.75 -72.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.7 m -58.12 168.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.1 m -115.35 139.24 50.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 161.11 -86.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -8.93 24.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.7 t -88.28 138.53 31.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.8 m -79.24 134.97 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -72.24 177.33 4.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -169.82 160.27 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.62 160.62 26.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -122.01 123.81 42.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.826 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 p -119.66 100.05 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.58 -64.59 0.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.425 ' HB2' HG11 ' A' ' 11' ' ' VAL . 7.7 pt20 -96.32 61.21 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -77.69 -61.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.5 p -93.38 71.48 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' A' ' 8' ' ' GLN . 27.5 m -122.31 128.85 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.802 ' HA ' HD12 ' A' ' 15' ' ' LEU . 5.3 pt-20 -121.02 36.25 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -75.14 -47.05 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -106.51 46.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 12' ' ' GLU . 29.5 mt -120.74 127.37 51.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.69 132.38 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -69.57 102.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -102.78 110.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HG2' HG22 ' A' ' 30' ' ' VAL . 20.4 mtpp -84.78 121.0 27.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 87' ' ' ILE . 53.6 t -101.71 141.49 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.29 131.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.742 HD13 HG21 ' A' ' 25' ' ' VAL . 59.9 mt -82.38 124.18 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -71.15 -58.28 4.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 -28.62 24.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -94.4 -56.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.45 -8.08 51.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.55 ' HB3' HD12 ' A' ' 22' ' ' LEU . 4.8 tt0 -78.46 138.95 38.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' C ' HG13 ' A' ' 29' ' ' ILE . 19.4 tt0 -99.93 154.22 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 28' ' ' GLU . 55.9 mt -147.23 130.22 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.431 HG22 ' HG2' ' A' ' 19' ' ' LYS . 76.3 t -105.49 122.71 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.472 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 7.7 tt -143.65 136.11 13.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.669 0.747 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.73 118.74 5.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.5 t80 -119.75 153.7 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -88.77 136.53 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.43 -19.72 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -100.11 24.56 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 m -133.56 138.68 46.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.455 HD12 ' CB ' ' A' ' 40' ' ' LYS . 28.0 pt -52.16 156.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 67' ' ' LYS . 9.4 mt -69.88 -34.55 73.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' CB ' HD12 ' A' ' 38' ' ' ILE . 5.1 tmtm? -36.47 -56.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.5 m-85 -34.97 -59.13 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 9.7 tp -66.73 -39.26 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -51.26 -59.6 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 45' ' ' HIS . 2.7 p30 -56.32 -51.9 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 4.6 t60 -36.41 -38.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -87.79 -55.3 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.9 t -39.58 -59.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.669 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.9 p-80 -55.06 -55.12 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.669 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -49.69 -62.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 98' ' ' ARG . 17.4 mt -52.14 -24.98 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.24 5.3 72.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 pt -112.93 151.39 44.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.7 152.48 69.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -77.46 -14.81 59.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -56.56 -25.65 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 95' ' ' TYR . 27.1 m -105.09 -32.59 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.516 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.4 tp -75.65 137.08 40.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' HG3' HG23 ' A' ' 90' ' ' THR . 20.7 mt-30 -137.9 163.67 30.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.39 128.39 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.473 ' CZ ' ' OE1' ' A' ' 86' ' ' GLU . 18.0 ttp180 -109.97 130.56 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CB ' HD11 ' A' ' 66' ' ' LEU . 61.8 t80 -136.04 127.69 28.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t 53.71 38.15 27.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.75 26.03 74.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -127.14 157.47 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.713 0.292 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.29 91.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.541 HD11 ' CB ' ' A' ' 61' ' ' TYR . 46.5 mt -60.93 161.18 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 39' ' ' LEU . 36.0 mttp -125.56 -176.29 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -78.95 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.71 -21.81 42.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.53 132.37 47.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m -100.47 159.77 14.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD21 HD23 ' A' ' 39' ' ' LEU . 4.0 mm? -65.47 -51.37 60.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 m -57.46 -27.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.84 -35.96 81.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -83.75 -23.69 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.12 67.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.965 HG13 ' OE2' ' A' ' 81' ' ' GLU . 94.9 t -132.03 120.3 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -88.21 153.87 51.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.543 0.687 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.43 57.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' LEU . 94.3 mt-30 62.28 38.99 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.965 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.4 pt-20 -118.33 177.03 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.6 mt -122.76 133.38 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.92 -177.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -142.87 116.23 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.0 m -118.21 170.34 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 60' ' ' ARG . 35.0 mt-10 -132.14 138.8 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.516 HG23 ' CD1' ' A' ' 57' ' ' LEU . 25.2 mt -119.39 139.72 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -165.03 167.98 17.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.8 t -114.86 134.17 55.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.401 HG23 ' HG3' ' A' ' 58' ' ' GLN . 65.1 p -62.8 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.697 ' ND2' HD12 ' A' ' 94' ' ' LEU . 11.7 t-20 -119.34 80.93 21.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.568 0.699 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -15.32 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.85 -36.83 62.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.697 HD12 ' ND2' ' A' ' 91' ' ' ASN . 17.2 mt -92.23 -46.9 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 56' ' ' VAL . 50.2 m-85 -128.54 80.6 72.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.758 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.75 48.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.405 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 20.9 t -86.08 118.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.428 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 4.8 mmp_? -109.07 148.37 30.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 6.7 ttp-105 -52.76 145.07 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.3 mm -73.77 110.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -60.82 143.04 55.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.98 -158.04 15.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.617 HD23 ' N ' ' A' ' 104' ' ' THR . 3.8 tt -41.93 136.0 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.617 ' N ' HD23 ' A' ' 103' ' ' LEU . 14.1 t -134.71 161.3 35.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -122.75 136.5 54.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 106' ' ' VAL . 12.4 p -46.76 118.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -161.75 137.03 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -145.95 127.01 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.0 pt -154.33 174.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.4 tt -165.16 146.12 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.1 p -138.1 145.54 41.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.79 93.79 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.9 p -129.61 123.07 30.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -106.77 82.41 0.32 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.54 27.33 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 117' ' ' SER . 28.5 t -167.62 149.98 5.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 116' ' ' SER . 47.8 t -35.78 122.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -163.56 173.84 12.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -140.52 175.79 9.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 -174.43 13.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -153.4 152.36 30.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 p -125.02 166.24 16.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.57 89.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -151.57 153.91 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.721 0.296 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.0 150.54 38.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -97.66 140.76 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.85 138.42 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.86 81.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.95 121.16 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.5 m 60.29 47.72 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.64 135.82 33.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.38 137.82 53.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -63.84 106.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.39 117.7 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -94.32 125.01 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG11 HD12 ' A' ' 87' ' ' ILE . 97.1 t -104.68 132.01 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.497 HG22 ' HG3' ' A' ' 28' ' ' GLU . 58.2 t -120.89 129.77 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.735 HD13 HG21 ' A' ' 25' ' ' VAL . 29.2 mt -81.55 125.39 30.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -70.04 -57.96 5.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.148 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.76 -33.24 16.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.735 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -88.12 -52.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.99 3.66 63.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HB3' HD12 ' A' ' 22' ' ' LEU . 16.0 tt0 -81.63 156.52 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 21' ' ' VAL . 7.0 mp0 -112.15 135.97 52.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.1 mt -132.72 140.72 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -117.37 125.69 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -152.43 134.07 8.33 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 119.73 6.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.6 t80 -122.06 148.4 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -81.53 138.18 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 73' ' ' VAL . 21.1 m -83.64 -6.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -112.0 -0.33 15.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.5 m -104.11 124.92 49.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pt -40.6 142.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.83 -15.48 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -51.89 -47.4 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -45.98 -66.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -62.76 -42.61 99.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.75 -49.33 59.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.405 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 5.6 t60 -43.74 -36.54 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.47 -26.66 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -66.35 -38.39 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 2.2 p80 -76.39 -54.72 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.5 tm? -50.16 -56.49 10.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 98' ' ' ARG . 41.8 mt -61.63 -41.37 97.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.22 -0.11 44.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.2 pt -104.24 150.61 38.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 139.34 39.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -58.9 -12.47 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -58.69 -55.84 29.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 95' ' ' TYR . 5.3 m -74.11 -28.09 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.421 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.2 tp -80.35 135.9 36.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -136.38 171.33 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.6 mt -127.13 140.94 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -123.69 133.84 53.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.735 ' HB3' HD11 ' A' ' 66' ' ' LEU . 78.6 t80 -151.21 138.53 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 55.65 31.01 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.78 6.37 43.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -122.91 137.29 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.0 mm -73.06 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 61' ' ' TYR . 2.0 mt -106.87 158.74 16.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -114.5 157.9 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -58.97 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -48.87 -22.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 157.4 22.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.65 170.83 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.2 mm? -69.15 -37.17 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 35' ' ' VAL . 13.8 m -60.2 -41.57 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -64.71 -11.09 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -105.95 -14.13 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.42 64.09 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.55 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.661 HG13 ' OE2' ' A' ' 81' ' ' GLU . 46.8 t -138.75 136.4 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -106.1 156.16 37.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.57 43.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 73.93 44.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.661 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.6 pt-20 -126.96 168.4 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.3 mt -110.72 131.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -141.35 -177.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -146.49 117.94 7.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.551 HG12 ' CD1' ' A' ' 61' ' ' TYR . 6.4 m -123.6 144.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -103.1 159.53 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.544 HD12 HG11 ' A' ' 20' ' ' VAL . 22.9 mt -137.62 140.73 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -161.15 168.8 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 t -119.83 131.71 55.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.9 p -61.65 -28.67 69.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -123.02 81.89 50.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.43 25.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.58 -48.11 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 95' ' ' TYR . 18.8 mt -79.43 -44.81 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.449 ' HB2' HG21 ' A' ' 56' ' ' VAL . 40.0 m-85 -134.41 81.9 47.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.56 41.59 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.44 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 56.8 t -103.18 130.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.619 ' H ' HD22 ' A' ' 50' ' ' LEU . 37.7 mmm-85 -112.55 158.87 19.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.521 ' HB3' HG11 ' A' ' 25' ' ' VAL . 12.7 ptt180 -69.68 157.38 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 mm -94.86 116.86 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -56.21 138.18 50.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.88 137.83 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.71 127.55 31.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 p -124.12 157.23 35.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -108.79 64.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.2 m -103.69 159.83 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -154.63 133.69 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.17 94.82 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.6 pt -116.5 39.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 tt -163.51 160.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 111' ' ' THR . 11.8 t -89.04 50.92 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 112' ' ' VAL . 9.6 p -51.07 127.34 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.1 t -111.78 161.81 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.16 81.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.72 37.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.8 m -122.11 148.27 45.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 t -115.14 -61.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -116.81 104.2 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 43.85 41.78 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.64 162.54 54.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -68.8 152.51 45.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -154.45 142.53 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.8 130.65 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -61.48 -48.23 82.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -76.03 132.74 40.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.9 p -107.69 150.05 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.414 ' C ' ' HG2' ' A' ' 12' ' ' GLU . 29.3 m -69.08 -38.09 77.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' HG2' ' C ' ' A' ' 11' ' ' VAL . 5.0 pt-20 38.31 44.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.92 -23.21 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.8 m -125.91 44.58 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.2 135.98 41.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.75 129.98 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -65.34 101.73 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.3 t -104.56 112.9 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 85' ' ' VAL . 59.0 mttm -85.7 139.54 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.647 ' CG1' HD12 ' A' ' 87' ' ' ILE . 77.6 t -120.79 118.99 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -113.35 127.27 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.831 HD13 HG21 ' A' ' 25' ' ' VAL . 61.3 mt -75.49 126.37 30.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -70.87 -58.7 4.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -33.43 16.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.831 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -88.0 -52.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.51 -5.39 60.44 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.438 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.556 ' HB3' HD12 ' A' ' 22' ' ' LEU . 38.4 tt0 -76.69 144.22 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -106.04 144.43 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.9 mt -137.62 148.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -122.22 125.03 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.456 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.9 tt -149.12 137.33 11.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.0 Cg_endo -69.77 141.68 45.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 6.2 t80 -146.44 151.02 36.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.73 127.13 34.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 73' ' ' VAL . 26.6 m -68.82 -12.8 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 5.44 37.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.7 m -107.61 131.3 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.4 pt -51.49 144.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 72' ' ' LEU . 9.3 mt -61.8 -23.69 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 2.6 tmtt? -46.01 -64.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.8 m-85 -34.51 -69.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 19.6 tp -43.96 -42.71 6.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 10.7 ttmt -44.17 -69.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -41.23 -46.4 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' ASP . 2.8 t60 -35.8 -47.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -90.97 -35.09 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -58.54 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.0 p-80 -61.67 -54.18 46.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -51.14 -59.45 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.6 mt -53.83 -31.67 50.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.06 13.46 49.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -123.29 148.53 55.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.639 ' O ' HG22 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.78 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.236 . . . . 0.0 112.38 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -51.16 -19.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -53.51 -34.9 59.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 53' ' ' PRO . 17.1 m -93.61 -23.97 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.584 HD11 HG23 ' A' ' 87' ' ' ILE . 4.2 tp -91.93 133.18 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -132.87 170.91 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.31 134.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -118.88 126.05 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.874 ' HB3' HD11 ' A' ' 66' ' ' LEU . 44.7 t80 -136.66 142.67 43.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m 58.95 29.19 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 7.23 57.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -122.65 147.65 46.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mm -79.68 125.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.874 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.6 mt -93.94 173.38 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -118.27 -178.51 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -86.72 -48.05 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -69.97 -8.91 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.45 166.93 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 73' ' ' VAL . 3.3 m -135.77 147.41 48.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 39' ' ' LEU . 3.2 mm? -60.56 -42.68 97.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 35' ' ' VAL . 9.5 m -65.62 -30.51 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -72.42 -28.91 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.47 -34.76 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.87 54.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.709 HG13 ' OE2' ' A' ' 81' ' ' GLU . 60.6 t -128.17 131.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 26.1 mmtm -103.7 160.81 24.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.2 Cg_endo -69.72 145.59 57.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.383 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 66.51 51.95 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.709 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.3 pt-20 -133.33 166.19 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.7 mt -116.54 127.34 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 m -128.98 -178.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -145.94 114.93 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 19' ' ' LYS . 8.6 m -124.65 146.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -108.36 135.52 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.647 HD12 ' CG1' ' A' ' 20' ' ' VAL . 40.6 mt -107.74 143.22 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.0 p90 -164.66 168.24 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -114.77 143.47 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -72.59 -33.35 66.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.627 ' ND2' HD12 ' A' ' 94' ' ' LEU . 11.1 t-20 -124.25 81.29 58.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.27 37.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.0 -38.89 69.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.627 HD12 ' ND2' ' A' ' 91' ' ' ASN . 13.7 mt -91.84 -47.45 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.549 ' CD1' HG11 ' A' ' 56' ' ' VAL . 44.8 m-85 -128.22 80.69 71.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.709 0.766 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 150.55 68.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.25 136.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -117.61 -174.96 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.69 152.83 18.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.55 92.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 40.44 43.17 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.16 -170.91 0.54 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 26.1 mt -133.55 140.42 47.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.4 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -132.38 -43.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.8 142.2 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -133.87 147.25 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t -94.55 -54.08 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -143.74 125.72 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.4 tt -145.96 121.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 7.1 tt -161.95 155.02 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 66.3 m -103.12 144.25 31.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.27 134.77 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.5 p -54.31 164.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.33 -171.17 12.9 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -170.1 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.9 p -145.1 178.28 8.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.3 m -130.26 177.67 7.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.7 t -35.7 -44.47 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.871 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 p -40.93 156.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.44 172.73 55.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -127.21 147.07 50.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.805 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -156.49 172.23 18.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.94 117.59 0.78 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -96.87 118.07 32.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -136.33 153.29 51.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.3 m -69.43 -59.66 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.1 t -44.01 136.48 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -122.18 131.7 54.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -109.87 74.75 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 m 61.98 49.29 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD21 ' CD ' ' A' ' 34' ' ' LYS . 10.5 mt -88.9 144.27 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.09 138.89 52.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -68.91 105.96 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -108.5 111.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -84.44 146.43 27.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.417 ' CG1' HD12 ' A' ' 87' ' ' ILE . 75.4 t -125.59 124.17 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.685 HG22 ' HG2' ' A' ' 28' ' ' GLU . 89.3 t -119.11 126.73 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 25' ' ' VAL . 38.0 mt -77.61 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.78 -58.41 3.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 111.169 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.8 -22.57 31.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.832 HG21 HD13 ' A' ' 22' ' ' LEU . 2.3 t -101.48 -58.39 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 102.77 -1.29 48.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.432 ' HB3' HD12 ' A' ' 22' ' ' LEU . 19.6 tt0 -76.01 147.3 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.685 ' HG2' HG22 ' A' ' 21' ' ' VAL . 23.6 mt-10 -103.33 140.21 37.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -136.49 137.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.0 t -117.1 128.58 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.418 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 5.1 tt -155.15 135.48 8.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.77 134.05 27.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 5.1 t80 -137.5 154.62 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' CD ' HD21 ' A' ' 15' ' ' LEU . 1.4 mppt? -87.62 131.55 34.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.6 m -73.79 -22.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -85.2 -26.78 26.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.8 m -82.63 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 pt -48.15 175.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.67 HD11 HD13 ' A' ' 66' ' ' LEU . 20.8 mt -82.21 -30.41 30.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.7 ttpm? -44.27 -58.09 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.7 m-85 -34.92 -59.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 16.8 tp -64.28 -41.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -47.27 -69.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -42.94 -48.22 5.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.588 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.09 -39.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -86.61 -47.44 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 p -47.98 -48.92 32.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.658 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.5 p-80 -65.88 -54.6 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.658 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -52.17 -62.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.84 -25.81 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.05 27.92 27.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -136.85 152.38 74.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 143.08 49.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -71.04 -7.59 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.5 t -61.22 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.594 HG21 ' HB2' ' A' ' 95' ' ' TYR . 16.2 m -84.15 -32.23 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 87' ' ' ILE . 6.7 tp -77.23 137.98 39.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' HD12 ' A' ' 57' ' ' LEU . 15.9 mm-40 -139.64 163.17 33.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.74 148.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -121.16 134.71 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -149.73 125.39 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p 53.15 43.21 31.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.97 19.3 58.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -118.58 158.99 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -102.56 90.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.67 HD13 HD11 ' A' ' 39' ' ' LEU . 62.7 mt -57.63 162.23 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -124.33 -175.95 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -80.39 -41.01 25.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.8 -13.68 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.38 148.95 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 m -125.02 146.22 49.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -69.0 -33.4 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -63.31 -31.49 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -84.87 -32.51 23.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.59 55.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.832 HG13 ' OE2' ' A' ' 81' ' ' GLU . 76.5 t -125.58 125.21 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.0 157.06 37.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 153.13 69.43 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.76 37.53 9.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.832 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.3 pt-20 -121.74 163.85 18.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -112.68 123.01 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 m -122.24 176.24 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -145.18 114.07 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.45 162.55 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -122.32 133.98 54.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.612 HG23 HD11 ' A' ' 57' ' ' LEU . 36.1 mt -107.08 144.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.7 p90 -162.35 174.49 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 t -119.34 128.46 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -53.84 -40.97 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -127.11 86.29 59.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.84 33.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -73.17 -28.63 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.59 -51.71 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.594 ' HB2' HG21 ' A' ' 56' ' ' VAL . 28.9 m-85 -125.0 78.66 66.02 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.707 0.765 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.26 63.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.599 HG11 HD22 ' A' ' 22' ' ' LEU . 97.4 t -92.37 151.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -134.5 166.69 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 -84.31 158.31 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' ASP . 72.8 mt -125.26 89.59 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' ILE . 8.0 t70 -36.11 140.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -174.04 -134.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.1 tp -141.36 115.16 9.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.3 p -85.7 147.84 26.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -140.12 105.85 5.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.39 134.54 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.4 m -132.95 121.27 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -132.36 -34.84 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.607 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.3 tt -78.92 107.73 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 16.5 tt -173.0 162.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.0 t -138.39 160.58 39.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.09 141.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.3 t -43.09 141.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.9 -163.4 11.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -174.52 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 m -169.75 175.86 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 118' ' ' GLY . 1.7 t -88.64 162.41 16.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 117' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -63.54 96.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -62.41 99.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.61 168.43 0.61 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -75.87 100.84 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -100.42 149.61 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.27 95.59 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -96.44 104.66 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 0.0 110.943 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -132.05 145.74 51.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.0 p -145.35 156.36 43.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.4 t -88.95 130.47 38.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -143.84 139.71 29.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -78.89 -17.82 54.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.0 m -93.88 44.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.434 HD13 ' HB2' ' A' ' 32' ' ' PRO . 95.9 mt -114.38 131.45 56.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -114.12 128.4 56.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -60.54 101.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 16' ' ' ALA . 93.0 t -107.92 111.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.583 ' O ' HG22 ' A' ' 85' ' ' VAL . 38.6 mtmt -85.33 128.69 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG11 HD12 ' A' ' 87' ' ' ILE . 36.1 t -110.92 129.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -122.95 130.51 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' A' ' 27' ' ' GLN . 37.9 mt -78.92 125.23 29.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -71.37 -58.26 3.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.525 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -17.23 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.362 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.614 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -108.47 -58.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 105.47 -3.85 40.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.745 ' HB3' HD12 ' A' ' 22' ' ' LEU . 27.3 tt0 -73.49 146.54 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.723 0.297 . . . . 0.0 110.953 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 29' ' ' ILE . 3.1 tp10 -109.06 144.53 36.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 43.8 mt -141.22 132.34 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.83 122.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 2.6 tt -147.58 136.98 11.87 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 15.5 t80 -129.94 149.92 51.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -80.48 144.39 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 36' ' ' ASP . 26.2 m -86.06 -11.79 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.462 ' OD1' HG23 ' A' ' 35' ' ' VAL . 5.8 m-20 -102.26 -24.66 13.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ILE . 41.9 m -81.54 108.68 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.595 HD13 ' N ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -34.78 152.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.569 HD12 ' CD ' ' A' ' 70' ' ' GLU . 6.9 mt -66.06 -18.25 65.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -41.86 -41.49 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.593 ' HE1' HD11 ' A' ' 38' ' ' ILE . 51.3 m-85 -65.74 -55.89 14.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 16.5 tp -57.42 -16.47 9.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -82.8 -59.45 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -41.1 62.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.6 t60 -47.74 -57.19 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -71.72 -41.83 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -50.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.662 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.0 p-80 -53.51 -54.87 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.662 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.7 tm? -47.45 -61.03 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.28 -23.29 35.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.67 10.84 66.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 pt -117.21 152.21 48.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.54 65.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -71.37 -17.21 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -53.44 -55.84 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.609 HG21 ' HB2' ' A' ' 95' ' ' TYR . 28.8 m -74.09 -41.65 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 87' ' ' ILE . 6.0 tp -69.32 132.95 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -134.32 177.89 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -131.99 148.22 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -130.43 128.42 41.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.63 ' HB3' HD11 ' A' ' 66' ' ' LEU . 56.4 t80 -146.09 139.91 26.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t 56.15 27.49 11.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.5 69.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -127.45 136.68 52.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -69.03 105.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 61' ' ' TYR . 42.9 mt -66.75 -177.93 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -130.91 -175.35 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.83 -33.94 8.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 1.9 t30 -91.08 -2.09 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.569 ' CD ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -79.81 -175.02 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -146.4 142.9 28.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' H ' HD22 ' A' ' 72' ' ' LEU . 3.0 mm? -57.26 -45.45 84.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 35' ' ' VAL . 16.9 m -56.98 -31.74 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.13 -22.35 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -93.49 -27.21 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.42 63.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.891 HG13 ' OE2' ' A' ' 81' ' ' GLU . 87.1 t -134.88 132.22 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -99.84 156.54 35.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 149.98 67.7 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.65 2.234 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 63.23 37.95 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.891 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.2 pt-20 -118.4 165.74 13.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.487 ' CG2' ' HE2' ' A' ' 19' ' ' LYS . 60.9 mt -111.19 130.25 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -137.59 176.83 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -133.16 124.73 28.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 19' ' ' LYS . 18.5 m -130.78 149.91 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -116.36 139.48 50.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.48 HG23 HD11 ' A' ' 57' ' ' LEU . 19.1 mt -115.46 142.72 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.1 p90 -166.6 171.77 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.54 45.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.6 p -68.38 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -131.36 86.49 50.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.54 28.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.311 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.33 -35.89 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.1 mt -93.57 -51.1 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.609 ' HB2' HG21 ' A' ' 56' ' ' VAL . 41.9 m-85 -127.9 82.65 67.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.714 0.769 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.34 66.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.414 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 58.9 t -95.73 143.19 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -133.44 165.91 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.38 154.39 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.518 HD13 HD12 ' A' ' 49' ' ' LEU . 4.8 mm -82.37 139.92 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -39.82 -56.15 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 105.73 48.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 103' ' ' LEU . 1.4 tt 37.63 31.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 102' ' ' GLY . 9.9 t -123.18 123.8 41.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -64.51 -56.28 15.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 106' ' ' VAL . 13.7 p -59.14 126.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -149.64 166.21 29.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -137.68 140.51 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 109' ' ' ILE . 2.8 pp -119.84 155.17 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 110' ' ' ILE . 3.1 tp -171.08 126.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 p -53.31 128.11 27.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.05 138.47 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.9 p -57.14 101.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 150.08 143.82 3.82 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 102.19 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.32 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 t -170.71 134.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -117.81 159.38 23.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.806 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 49.4 42.88 23.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -130.17 165.08 23.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.72 154.36 22.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -89.88 -54.27 4.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -128.4 144.54 51.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.58 -167.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -85.62 -59.7 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 110.922 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -97.49 124.7 41.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -63.3 131.62 48.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' GLU . 95.7 t -121.93 -45.98 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' VAL . 7.0 pt-20 35.76 43.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -115.75 -59.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.4 m -60.16 -24.91 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 32' ' ' PRO . 13.1 mt -59.75 151.86 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -73.41 90.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.85 107.6 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 85' ' ' VAL . 30.0 mtmm -82.65 146.89 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.58 147.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.66 131.39 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.745 HD13 HG21 ' A' ' 25' ' ' VAL . 77.1 mt -86.32 123.07 31.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.43 -58.11 4.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 0.0 111.113 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.71 -18.23 37.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.745 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -107.43 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 104.76 -3.15 41.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.541 ' HB3' HD12 ' A' ' 22' ' ' LEU . 13.9 tt0 -73.1 153.87 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -112.34 130.98 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -130.75 131.89 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 19' ' ' LYS . 74.7 t -112.0 128.33 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tt -149.45 133.48 8.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.415 ' HB2' HD22 ' A' ' 15' ' ' LEU . 53.5 Cg_endo -69.76 116.66 4.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.5 t80 -116.54 153.73 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -81.83 132.14 35.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.33 -25.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.21 33.43 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.2 m -137.69 131.65 31.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 pt -46.79 145.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 67' ' ' LYS . 8.5 mt -61.27 -13.99 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -49.66 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -42.83 -59.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.14 -34.27 77.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -54.97 -73.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -44.81 -35.0 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -52.44 -55.95 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -72.84 -37.72 67.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -53.2 -66.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.8 p-80 -53.4 -55.01 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.0 -25.11 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.2 3.59 61.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 20.9 pt -117.39 151.73 48.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.723 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.354 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -87.93 -11.83 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.4 t -64.16 -16.95 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 95' ' ' TYR . 19.5 m -114.87 -20.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.726 HD11 HG23 ' A' ' 87' ' ' ILE . 10.8 tp -90.33 147.07 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -146.2 174.93 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mt -134.23 132.43 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -109.81 126.38 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 66' ' ' LEU . 72.9 t80 -140.15 125.41 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m 62.98 26.07 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.814 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.48 -7.56 61.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -113.8 142.05 46.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mm -77.87 143.59 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 61' ' ' TYR . 2.6 mt -116.04 140.48 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.583 ' O ' HD12 ' A' ' 39' ' ' LEU . 25.1 pttt -103.59 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 68' ' ' ASN . 7.1 p-10 -64.5 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -40.87 -28.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -78.8 142.12 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -114.88 158.33 22.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.3 mm? -58.36 -45.67 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.09 -22.76 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.76 -21.01 52.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -96.71 -14.4 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.84 56.77 0.55 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.004 HG13 ' OE2' ' A' ' 81' ' ' GLU . 87.8 t -129.62 132.44 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 27.1 mmtt -106.27 160.8 24.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.0 Cg_endo -69.75 150.52 68.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 61.62 41.55 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 1.004 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.8 pt-20 -124.35 160.36 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.5 mt -109.35 131.25 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.12 178.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -140.75 121.33 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' LYS . 35.3 m -129.52 151.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' OE1' HD11 ' A' ' 23' ' ' ILE . 24.5 mt-10 -113.91 145.02 42.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.726 HG23 HD11 ' A' ' 57' ' ' LEU . 51.8 mt -121.92 142.65 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 6.1 p90 -166.67 159.9 14.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -108.34 139.44 43.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.3 p -70.09 -36.26 74.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -113.36 80.84 4.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -20.19 34.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.15 -33.7 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.2 mt -94.74 -44.56 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.549 ' CD1' HG11 ' A' ' 56' ' ' VAL . 19.5 m-85 -132.3 80.96 62.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.683 0.754 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.4 57.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.344 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 95.0 t -98.99 145.46 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -126.13 163.06 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.403 ' HB3' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -76.4 157.48 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.541 ' CD1' HD12 ' A' ' 49' ' ' LEU . 52.1 mt -135.09 124.08 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.38 140.03 57.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.79 -179.39 3.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.07 -64.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -43.79 72.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 74.03 54.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.84 154.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -156.81 165.11 37.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -152.58 169.74 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 19.0 tt -163.75 147.04 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 111' ' ' THR . 7.3 tp -156.28 149.38 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.458 ' N ' HG13 ' A' ' 110' ' ' ILE . 13.8 t -148.27 162.48 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.29 151.96 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 76.4 p -172.94 148.0 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -175.03 148.75 9.8 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -173.54 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.7 p -159.94 158.83 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.1 m -89.77 -61.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.511 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -97.39 117.78 32.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 41.11 42.5 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.19 129.2 2.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -117.4 153.8 32.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.382 . . . . 0.0 110.886 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 m -153.84 161.24 42.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.63 -170.86 30.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -99.79 -46.76 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -77.95 131.33 37.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -108.01 110.79 22.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -82.95 80.52 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 15' ' ' LEU . 17.9 tt0 -76.38 65.42 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.41 -33.7 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 m -130.33 26.61 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 12' ' ' GLU . 20.2 mt -93.63 126.38 38.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.06 133.04 53.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.1 m -65.96 108.81 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.556 ' HA ' HG22 ' A' ' 83' ' ' VAL . 80.6 t -110.08 101.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -76.7 127.48 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.553 HG22 ' CG2' ' A' ' 85' ' ' VAL . 85.6 t -115.57 145.8 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.634 HG22 ' HG2' ' A' ' 28' ' ' GLU . 94.6 t -135.35 126.13 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.851 HD13 HG21 ' A' ' 25' ' ' VAL . 32.8 mt -75.63 128.14 34.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -70.63 -58.6 4.42 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.183 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' N ' HG22 ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.8 -37.48 9.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.627 2.218 . . . . 0.0 112.372 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.851 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -81.94 -40.17 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.37 4.25 88.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' NE2' ' HD3' ' A' ' 99' ' ' ARG . 5.0 tt0 -90.4 142.65 27.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.634 ' HG2' HG22 ' A' ' 21' ' ' VAL . 6.0 tm-20 -90.53 150.62 21.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -145.36 126.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.53 120.19 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 tt -146.16 132.05 9.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 14.7 t80 -122.18 158.77 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -89.81 128.8 36.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.2 -28.82 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.87 14.45 7.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.4 m -124.08 134.91 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 pt -48.47 152.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 72' ' ' LEU . 21.4 mt -66.62 -27.97 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -42.09 -61.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' LYS . 13.4 m-85 -36.08 -60.26 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.7 tp -55.72 -40.74 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LYS . 26.0 ttmt -60.17 -45.84 91.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -59.02 -54.57 45.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.549 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 32.6 t-80 -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -88.79 -43.74 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 p -48.71 -47.75 40.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.1 p80 -67.2 -54.85 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.656 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -50.83 -61.23 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.32 -22.21 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.81 -16.42 58.34 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.5 pt -89.98 149.86 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.34 38.66 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -78.19 -18.75 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -53.06 -54.42 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 57' ' ' LEU . 27.3 m -75.85 -43.09 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.627 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.3 tp -65.44 134.57 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.496 ' N ' HD12 ' A' ' 57' ' ' LEU . 15.3 mm-40 -136.27 169.94 16.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.61 137.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -118.36 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.472 ' CB ' HD11 ' A' ' 66' ' ' LEU . 57.8 t80 -133.38 135.62 44.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t 54.99 28.52 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.59 13.73 83.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -118.57 171.53 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.2 mm -109.87 102.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 61' ' ' TYR . 20.3 mt -73.09 168.65 18.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.59 175.33 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.54 -58.16 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.53 -34.01 56.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.31 174.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -150.72 150.76 31.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 39' ' ' LEU . 3.7 mm? -60.4 -47.0 87.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.7 -18.5 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -83.79 -19.01 35.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -97.49 -14.43 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.71 54.34 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.841 HG13 ' OE2' ' A' ' 81' ' ' GLU . 76.0 t -124.79 131.99 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -100.06 156.62 35.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.43 60.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.356 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 66.77 38.73 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.841 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.7 pt-20 -120.39 171.41 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.11 133.1 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 18' ' ' VAL . 18.1 m -137.26 178.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -141.13 117.47 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.553 ' CG2' HG22 ' A' ' 20' ' ' VAL . 30.8 m -122.88 170.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -133.43 146.0 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.627 HG23 ' CD1' ' A' ' 57' ' ' LEU . 42.7 mt -124.02 134.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.9 p90 -161.47 154.98 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -103.63 132.83 49.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.8 p -65.2 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -109.38 79.42 1.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.73 34.33 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.91 -34.56 57.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.7 mt -92.29 -45.78 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -129.97 78.7 74.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.81 41.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.429 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 5.2 t -83.15 134.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -119.55 165.39 14.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.556 ' HG2' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -63.09 132.09 50.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.486 ' N ' ' HD2' ' A' ' 99' ' ' ARG . 25.6 mm -54.77 116.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -91.95 -176.28 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.52 -93.32 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.61 108.38 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 t -76.05 157.38 33.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.56 -177.96 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.6 p -93.77 138.11 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 m -88.49 -53.58 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -157.51 150.78 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.9 pt -126.29 155.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.2 tt -159.79 151.14 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 112' ' ' VAL . 24.9 m -121.24 155.33 34.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.407 ' N ' HG22 ' A' ' 111' ' ' THR . 10.5 p -128.72 144.59 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.9 p -128.33 170.04 13.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.0 146.26 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.538 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -173.8 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 76.6 p -164.0 168.53 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 118' ' ' GLY . 61.4 m -136.47 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 117' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -128.59 146.58 50.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -127.03 151.74 48.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.64 65.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -66.38 130.09 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -83.84 134.89 34.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.39 133.98 1.93 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -104.45 -59.68 1.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.742 0.305 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 10' ' ' SER . 35.6 tt0 -124.39 160.68 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 9' ' ' GLU . 16.7 m -87.84 175.94 7.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.4 t -129.38 119.9 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -84.18 88.66 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -159.6 137.07 9.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m 41.31 53.7 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -97.66 127.37 43.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.46 147.59 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -79.65 110.36 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 83' ' ' VAL . 53.6 t -111.3 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 85' ' ' VAL . 50.8 mtmt -71.68 137.61 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 87' ' ' ILE . 87.0 t -115.8 137.23 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.0 t -131.96 126.74 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 25' ' ' VAL . 51.8 mt -79.87 127.04 31.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -70.86 -58.79 4.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.717 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.72 -34.44 14.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.64 2.227 . . . . 0.0 112.387 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.749 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -86.06 -54.7 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.01 10.7 60.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.418 ' HB3' HD12 ' A' ' 22' ' ' LEU . 6.1 tt0 -88.38 143.37 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -92.35 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mt -143.36 132.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -111.38 129.55 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 8.1 tt -150.85 136.06 10.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.647 0.737 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.73 152.53 69.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 2.8 t80 -157.89 152.21 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 124.14 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.16 -17.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -12.79 26.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -94.5 130.05 41.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.4 pt -48.02 165.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 67' ' ' LYS . 9.4 mt -76.1 -32.38 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.6 tmtp? -39.39 -59.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.2 m-85 -35.96 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.6 tp -55.32 -42.98 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -61.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.37 -44.35 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.529 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.63 -61.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -69.79 -54.8 11.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.401 ' OG ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.28 -67.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.699 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.3 p-80 -45.97 -55.0 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.699 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 2.3 tm? -49.2 -62.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.16 -25.66 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.83 -13.33 62.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 13.2 pt -87.79 148.11 42.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 155.26 66.31 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -5.19 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 p -68.18 -59.28 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.532 HG11 HD21 ' A' ' 91' ' ' ASN . 4.0 m -67.99 -28.57 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD11 HG23 ' A' ' 87' ' ' ILE . 6.2 tp -82.04 144.21 31.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' H ' HD12 ' A' ' 57' ' ' LEU . 11.0 mt-30 -145.18 175.45 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.13 131.7 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -113.42 125.37 54.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.754 ' HB3' HD11 ' A' ' 66' ' ' LEU . 80.1 t80 -140.68 130.3 24.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t 63.4 26.86 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.4 76.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 146.38 44.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.54 126.07 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 61' ' ' TYR . 17.3 mt -91.31 130.69 37.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 39' ' ' LEU . 20.0 tptm -78.91 159.01 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -67.47 -38.18 84.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -80.39 -4.08 52.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 3.7 mm-40 -84.43 134.5 34.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -99.03 150.09 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.5 mm? -56.08 -57.47 12.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.04 -46.49 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.9 -37.08 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -79.78 -18.75 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.83 63.75 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.783 HG13 ' OE2' ' A' ' 81' ' ' GLU . 79.1 t -131.84 124.2 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 111.079 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -91.56 158.05 41.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 151.86 69.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.298 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 60.18 43.06 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.783 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.3 pt-20 -122.81 166.82 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -113.29 126.84 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 18' ' ' VAL . 18.5 m -130.45 -175.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -150.18 118.83 6.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 19' ' ' LYS . 33.7 m -120.79 168.16 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -129.08 133.67 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.566 HG23 HD11 ' A' ' 57' ' ' LEU . 62.4 mt -112.79 128.84 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 10.3 p90 -150.82 163.08 39.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -108.7 136.76 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.437 ' CG2' ' OE1' ' A' ' 58' ' ' GLN . 69.3 p -64.32 -37.73 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.617 HD22 HD12 ' A' ' 94' ' ' LEU . 52.8 p-10 -122.83 87.01 50.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.68 31.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.81 -28.6 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.617 HD12 HD22 ' A' ' 91' ' ' ASN . 37.8 mt -98.42 -49.1 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.472 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 26.8 m-85 -131.83 82.42 60.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.717 0.77 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 151.33 68.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 24.3 t -93.39 114.74 30.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -98.89 167.38 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 -79.33 169.32 18.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.9 mt -140.72 123.04 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.68 -47.52 72.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 40.76 -113.86 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 103' ' ' LEU . 11.5 tp -86.85 121.34 29.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 m -40.93 132.23 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -54.73 151.89 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.38 115.06 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.1 m -162.15 176.9 10.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -109.39 100.87 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.475 HD12 ' C ' ' A' ' 109' ' ' ILE . 2.7 pp -118.16 157.28 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 111' ' ' THR . 9.0 tt -170.34 145.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' ILE . 8.1 t -36.17 136.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.2 p -39.61 137.48 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.8 p -153.7 160.61 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.97 179.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 110.49 2.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.2 p -158.58 174.45 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.9 m -93.34 136.57 33.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -120.19 138.9 53.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 m -80.73 137.66 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.73 160.65 22.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -135.92 144.39 45.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -161.6 -176.18 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.54 136.46 9.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -121.96 175.83 6.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -78.67 137.38 37.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 m -47.14 135.87 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.9 t -99.99 -55.45 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.177 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 44.45 42.74 5.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -120.47 -37.34 3.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -129.74 47.54 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.517 HD23 ' C ' ' A' ' 33' ' ' PHE . 12.9 mt -105.88 126.46 52.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.534 ' HB2' ' HA ' ' A' ' 79' ' ' PRO . . . -107.49 140.16 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m -69.18 112.12 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.04 100.61 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -79.4 122.39 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.532 HG11 HD12 ' A' ' 87' ' ' ILE . 97.9 t -103.83 136.37 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.9 t -125.97 128.08 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.836 HD13 HG21 ' A' ' 25' ' ' VAL . 26.4 mt -77.06 127.26 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -71.99 -58.36 3.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.8 -27.67 26.0 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.73 2.287 . . . . 0.0 112.29 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.836 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -94.79 -53.59 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.06 62.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' HB3' HD12 ' A' ' 22' ' ' LEU . 17.7 tt0 -75.47 151.91 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -105.15 136.27 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mt -133.3 126.86 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.64 120.48 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.5 tt -141.81 136.89 15.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.76 122.87 9.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.333 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 3.2 t80 -131.46 154.21 48.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.38 150.49 20.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 73' ' ' VAL . 24.2 m -89.06 -14.54 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -31.92 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 m -83.26 139.11 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.472 ' HA ' HG23 ' A' ' 71' ' ' THR . 7.9 pt -53.14 176.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' CD2' HD21 ' A' ' 72' ' ' LEU . 17.2 mt -86.22 -13.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' TYR . 31.0 ttpt -63.08 -54.91 30.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.4 m-85 -36.03 -53.48 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 18.8 tp -65.09 -40.89 95.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' LYS . 16.9 ttmt -50.35 -48.59 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -55.7 -45.5 77.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 48' ' ' HIS . 2.4 t60 -44.72 -36.33 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 40.1 m-85 -90.71 -54.52 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' PHE . 23.1 p -37.13 -41.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.9 p80 -77.15 -54.73 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -53.37 -62.59 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.53 -24.0 18.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.34 34.13 30.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 41.0 pt -138.68 150.88 67.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.91 22.28 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.28 . . . . 0.0 112.36 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -56.52 -13.47 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.3 p -57.42 -57.77 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m -72.06 -29.5 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.719 HD11 HG23 ' A' ' 87' ' ' ILE . 9.3 tp -79.37 135.44 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -138.49 163.77 31.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.2 mt -121.67 134.12 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -112.96 128.92 56.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -129.73 128.54 42.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t 58.3 24.96 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.61 -12.49 65.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -93.2 164.37 13.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.8 mm -103.65 107.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 66' ' ' LEU . 4.8 mt -76.14 176.07 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -129.72 167.32 18.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -26.87 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -84.78 -25.63 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.16 128.81 37.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 38' ' ' ILE . 1.1 m -103.63 150.47 23.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.55 HD21 ' CD2' ' A' ' 39' ' ' LEU . 4.3 mm? -54.2 -47.55 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 35' ' ' VAL . 2.6 m -66.77 -28.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -65.82 -27.37 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -92.91 -18.31 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.64 56.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.69 HG13 ' OE2' ' A' ' 81' ' ' GLU . 89.6 t -124.11 121.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.49 156.74 38.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.534 ' HA ' ' HB2' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.8 158.41 57.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.299 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 63.77 27.19 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.69 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.4 pt-20 -115.01 168.99 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.8 mt -120.26 132.86 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.4 m -134.4 -179.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -141.88 117.24 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.6 m -123.5 157.61 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -121.36 140.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.719 HG23 HD11 ' A' ' 57' ' ' LEU . 37.0 mt -117.91 134.35 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.4 p90 -153.05 167.63 28.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -111.2 127.0 55.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.2 p -54.66 -41.29 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -124.87 86.33 56.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.76 33.56 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.96 -26.94 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.0 mt -102.55 -48.27 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.423 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 47.6 m-85 -131.92 80.87 64.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 158.41 57.13 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.7 118.34 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -105.74 149.46 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.438 ' HG3' HG11 ' A' ' 25' ' ' VAL . 18.7 ttp180 -59.02 162.87 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt -129.43 119.44 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -49.61 138.8 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.86 -177.33 43.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.8 tp -169.07 120.03 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.2 p -123.22 141.08 52.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.72 93.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.83 -179.96 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.5 m -149.42 113.07 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -142.52 177.59 8.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 109' ' ' ILE . 6.0 tp -171.87 125.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 110' ' ' ILE . 8.6 tp -170.58 124.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 111' ' ' THR . 10.5 t -134.37 126.63 30.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.5 p -143.89 147.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 t -167.19 109.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -138.46 85.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.65 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -145.05 174.48 11.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.8 p -129.04 -176.43 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -159.79 173.72 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -80.77 57.82 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.36 -130.79 2.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -161.16 169.41 22.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 110.806 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -168.0 157.48 9.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.64 145.54 17.74 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 9' ' ' GLU . 75.4 mt-30 -132.8 165.28 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' GLN . 1.7 mp0 -34.77 138.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -75.51 98.83 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.7 t -114.27 111.82 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -120.16 68.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -126.02 -42.99 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -106.14 20.57 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.65 124.51 33.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.75 137.12 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -70.53 104.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.65 109.23 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -79.97 127.81 32.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.414 ' CG1' HD12 ' A' ' 87' ' ' ILE . 59.4 t -111.34 131.21 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.413 HG22 ' HG2' ' A' ' 28' ' ' GLU . 43.3 t -128.79 130.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 25' ' ' VAL . 32.3 mt -80.6 128.2 33.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -70.83 -58.48 4.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -34.88 13.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.738 2.292 . . . . 0.0 112.294 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.749 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -85.72 -45.19 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.19 0.57 86.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' A' ' 22' ' ' LEU . 14.3 tt0 -77.64 151.6 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HG2' HG22 ' A' ' 21' ' ' VAL . 26.9 mt-10 -105.03 144.56 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.3 mt -142.11 147.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.2 t -124.46 125.14 69.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 tt -153.99 130.12 5.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.8 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.623 2.215 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 16.4 t80 -133.97 149.62 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -78.9 139.2 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 73' ' ' VAL . 15.2 m -87.6 -5.76 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -111.27 5.85 20.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -113.13 128.93 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 40' ' ' LYS . 36.8 pt -41.44 156.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 67' ' ' LYS . 16.2 mt -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' HB2' HD12 ' A' ' 38' ' ' ILE . 18.3 ttpt -43.87 -54.64 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -38.13 -66.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.573 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.7 tp -58.21 -37.26 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -54.74 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -55.96 -42.99 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.593 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.0 t60 -39.06 -45.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 28.1 m-85 -82.09 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.649 ' OG ' HD23 ' A' ' 57' ' ' LEU . 1.5 m -35.57 -61.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.687 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.4 p-80 -52.61 -54.46 32.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 1.7 tm? -51.33 -62.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 100' ' ' ILE . 14.3 mt -57.42 -16.97 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.57 -26.46 13.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.6 pt -77.02 150.92 81.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.608 0.718 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.4 Cg_endo -69.73 155.56 65.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -77.61 -16.82 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -52.62 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.1 m -70.0 -45.11 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.649 HD23 ' OG ' ' A' ' 47' ' ' SER . 4.9 tp -64.93 139.54 58.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -142.0 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.65 137.75 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -117.28 136.35 53.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.604 ' HB3' HD11 ' A' ' 66' ' ' LEU . 74.9 t80 -154.39 135.4 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m 59.57 26.04 15.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.05 11.62 70.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.07 149.6 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 mm -85.77 121.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.9 mt -90.26 165.77 13.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.591 ' O ' HD12 ' A' ' 39' ' ' LEU . 34.1 mttm -117.81 173.63 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -70.06 -68.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -49.49 -18.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -74.96 132.32 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -102.33 166.05 10.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' H ' HG22 ' A' ' 71' ' ' THR . 3.9 mm? -69.12 -45.44 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 35' ' ' VAL . 8.8 m -58.17 -23.91 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -74.4 -34.68 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.82 -9.84 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 61.4 0.77 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.756 HG13 ' OE2' ' A' ' 81' ' ' GLU . 73.4 t -129.78 129.11 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -97.38 158.25 33.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.04 66.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 61.52 43.28 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.756 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.26 161.34 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.61 129.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 -178.7 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -140.47 121.31 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.3 m -127.75 156.29 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -118.42 149.86 40.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' A' ' 57' ' ' LEU . 43.8 mt -124.83 140.89 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -164.07 157.45 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -101.28 130.13 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 56' ' ' VAL . 43.6 p -56.26 -37.29 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.76 HD22 HD12 ' A' ' 94' ' ' LEU . 52.1 p-10 -126.52 90.6 49.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 54.2 Cg_endo -69.72 -25.07 29.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.39 -29.4 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.76 HD12 HD22 ' A' ' 91' ' ' ASN . 36.6 mt -96.84 -48.46 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 33.1 m-85 -132.22 81.71 60.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.698 0.761 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.18 64.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.4 133.53 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -117.34 178.41 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -76.82 167.45 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 50' ' ' LEU . 63.7 mt -141.38 135.9 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -76.57 88.73 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.14 -105.43 2.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.83 114.52 12.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.9 m -105.61 110.86 23.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.35 -52.66 4.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.8 m -91.5 174.42 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 99.0 p -130.15 144.15 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -118.74 176.57 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.4 pt -114.74 -9.65 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 11.1 tt -68.21 154.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.8 t -52.0 139.77 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.33 132.98 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.7 m -123.66 156.41 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -173.86 154.58 19.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 170.61 16.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.4 p -170.96 171.89 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.7 m -106.03 176.61 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -76.36 -46.48 27.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 m 62.62 40.04 10.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.88 158.69 48.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -141.15 150.33 42.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -163.62 137.82 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.58 62.5 6.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -97.88 122.48 41.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.06 162.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -158.12 137.56 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.9 t -139.58 127.66 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.706 ' HA ' HD12 ' A' ' 15' ' ' LEU . 7.1 pt-20 -91.21 58.41 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.54 -48.71 5.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 m -124.6 50.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 12' ' ' GLU . 15.4 mt -91.48 127.08 36.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB1' ' HG2' ' A' ' 81' ' ' GLU . . . -114.5 143.03 45.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 m -77.14 110.72 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -110.27 110.59 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 85' ' ' VAL . 2.4 mtpm? -82.01 128.49 34.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.24 133.22 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -126.73 126.17 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.864 HD13 HG21 ' A' ' 25' ' ' VAL . 28.9 mt -74.41 126.93 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -70.55 -58.2 4.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 111.185 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.77 -37.58 8.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.864 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -81.77 -53.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.98 6.07 59.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.488 ' HB3' HD12 ' A' ' 22' ' ' LEU . 12.2 tt0 -84.37 161.86 20.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 14.5 mt-10 -115.35 141.85 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mt -142.9 128.89 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.0 121.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 tt -144.06 132.58 11.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.48 40.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.1 t80 -142.45 134.71 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.72 140.2 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.08 -37.25 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.45 33.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.2 m -135.79 143.73 45.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.2 pt -56.36 172.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.9 mt -88.42 -33.53 17.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -36.03 -58.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.7 m-85 -36.48 -56.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.26 -35.21 79.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' LYS . 13.7 ttmt -59.33 -61.33 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.7 m-20 -51.8 -47.54 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 44' ' ' ASP . 4.0 t60 -34.73 -43.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 33.0 m-85 -91.12 -54.12 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' PHE . 32.5 t -36.5 -52.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.668 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.6 p-80 -67.49 -54.9 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.668 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -48.18 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -53.22 -23.12 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 18.13 60.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.3 pt -121.56 152.56 58.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.84 58.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -76.7 -13.86 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.6 p -57.5 -21.13 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.9 m -110.55 -31.46 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.494 HD11 HG23 ' A' ' 87' ' ' ILE . 5.9 tp -77.34 133.57 38.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -141.56 170.06 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.3 mt -120.93 148.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.869 HH21 HD11 ' A' ' 65' ' ' ILE . 14.6 ttm180 -124.52 125.21 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -140.83 136.23 32.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 t 56.09 25.18 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.89 8.78 78.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 153.99 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.726 0.298 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.869 HD11 HH21 ' A' ' 60' ' ' ARG . 48.1 mm -90.95 116.12 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.91 165.62 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 48.8 mttt -124.87 127.99 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.9 p-10 -38.32 -65.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.9 -29.42 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 9.0 tt0 -62.91 172.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.17 155.39 50.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -66.49 -37.83 85.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 m -65.61 -24.11 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -76.89 -25.17 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' CD ' ' A' ' 70' ' ' GLU . 85.1 m-70 -88.82 -31.84 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.37 57.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.841 HG13 ' OE2' ' A' ' 81' ' ' GLU . 35.4 t -124.14 139.87 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.168 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -109.49 157.02 38.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.47 47.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 65.66 47.32 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.841 ' OE2' HG13 ' A' ' 77' ' ' VAL . 9.4 pt-20 -122.83 178.2 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.3 mt -127.54 129.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.77 178.89 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -138.32 121.86 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 19' ' ' LYS . 35.0 m -128.37 167.02 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -133.91 129.27 36.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 57' ' ' LEU . 16.1 mt -101.01 145.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -166.75 171.71 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.8 t -113.59 138.65 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.6 p -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.543 ' OD1' HD12 ' A' ' 94' ' ' LEU . 2.2 t-20 -126.46 82.73 65.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.34 -29.25 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.543 HD12 ' OD1' ' A' ' 91' ' ' ASN . 26.4 mt -98.21 -50.78 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -133.59 78.7 61.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.689 0.757 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 149.1 66.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.71 133.66 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -130.79 147.39 52.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HG2' HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -55.03 133.51 48.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.55 HG12 HD12 ' A' ' 49' ' ' LEU . 77.6 mt -74.09 106.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' GLY . 0.8 OUTLIER -78.34 -43.98 26.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' ASP . . . -35.25 -52.99 0.96 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.7 mt -38.86 135.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -65.25 -28.69 69.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -64.89 109.53 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.811 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.0 m -100.36 166.44 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -131.49 162.96 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.23 34.32 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.4 tt -140.48 142.08 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.824 HD13 ' N ' ' A' ' 111' ' ' THR . 0.2 OUTLIER -163.29 129.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.824 ' N ' HD13 ' A' ' 110' ' ' ILE . 62.9 p -75.49 94.88 3.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.6 m -80.09 168.43 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 t -130.17 166.76 19.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.56 -158.07 28.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -176.99 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 t -141.94 177.59 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.2 m -45.2 120.45 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -113.51 -48.54 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -55.65 133.57 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.72 -168.65 12.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -156.73 140.27 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -116.57 132.61 56.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.08 154.03 22.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -66.86 165.81 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.309 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -90.37 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 p -71.46 -36.26 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.3 t -85.99 110.06 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -111.49 116.62 31.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -159.3 118.22 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m 59.96 40.01 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.89 139.77 41.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.03 136.79 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 112.23 4.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -113.6 111.54 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 85' ' ' VAL . 51.0 mtmt -88.3 130.43 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.56 HG11 HD12 ' A' ' 87' ' ' ILE . 85.8 t -108.03 137.35 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -128.82 127.16 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.876 HD13 HG21 ' A' ' 25' ' ' VAL . 24.4 mt -81.46 128.11 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -72.21 -58.29 3.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.145 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.5 Cg_endo -69.71 -18.18 37.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.374 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.876 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -106.4 -56.57 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 95.97 1.27 61.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -78.06 139.87 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.18 135.83 34.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.77 134.12 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.08 127.55 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -148.06 128.37 6.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 125.24 11.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.3 t80 -138.59 147.52 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -77.57 165.13 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 73' ' ' VAL . 30.5 m -101.18 -15.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -108.66 30.49 6.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.1 m -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.8 pp -52.43 164.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' LEU . 12.1 mt -88.84 -28.07 20.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HB3' HD13 ' A' ' 38' ' ' ILE . 23.6 ttpt -36.35 -34.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.742 ' CD2' HD11 ' A' ' 38' ' ' ILE . 30.0 m-85 -68.59 -45.26 72.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 18.6 tp -73.0 -21.3 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -80.94 -48.22 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -58.82 -25.7 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.427 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.9 t60 -68.41 -48.94 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -73.85 -38.38 64.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -55.2 -64.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -50.53 -54.79 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.654 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -51.52 -61.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.92 -29.71 56.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.1 54.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 32.8 pt -93.98 152.09 40.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.758 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 153.81 68.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -75.62 -22.65 56.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 t -44.66 -47.36 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.3 m -84.35 -42.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.645 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.0 tp -66.38 133.08 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -135.07 175.74 9.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.7 mt -130.56 127.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.8 123.55 50.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CB ' HD11 ' A' ' 66' ' ' LEU . 44.8 t80 -129.32 126.64 39.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 t 55.28 33.6 21.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.87 -3.22 76.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -95.16 167.24 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.47 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 75' ' ' HIS . 19.0 mt -62.94 134.13 55.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 39' ' ' LEU . 52.8 mttp -101.89 177.68 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -73.87 -52.1 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -68.95 -8.64 46.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 67' ' ' LYS . 20.5 mm-40 -76.07 170.52 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.24 146.87 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 72' ' ' LEU . 3.1 mm? -57.6 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.6 m -49.97 -38.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -62.41 -31.26 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 66' ' ' LEU . 21.7 m-70 -85.6 -16.1 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.23 62.61 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.023 HG13 ' OE2' ' A' ' 81' ' ' GLU . 55.8 t -132.33 130.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -98.73 158.51 32.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 147.36 62.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.697 2.265 . . . . 0.0 112.383 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 62.01 39.63 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 1.023 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.51 160.21 26.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.26 138.43 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.49 -177.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -145.45 114.62 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 19' ' ' LYS . 19.8 m -118.5 166.55 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -128.71 142.65 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.645 HG23 ' CD1' ' A' ' 57' ' ' LEU . 35.1 mt -119.2 132.41 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.4 p90 -155.92 163.49 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -110.53 123.56 50.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.2 p -56.79 -34.91 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -114.85 79.43 5.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.47 36.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -77.94 -34.51 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.26 -46.96 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 39.5 m-85 -132.78 78.08 67.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.52 66.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.482 HG11 HD22 ' A' ' 22' ' ' LEU . 49.6 t -83.2 155.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.454 ' N ' HG12 ' A' ' 97' ' ' VAL . 10.1 ptp180 -145.15 145.31 31.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 171.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.8 mt -132.55 129.94 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -85.74 140.23 30.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.16 68.64 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.442 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 tp -164.95 158.89 17.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.1 m -46.71 106.71 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' VAL . 10.0 t0 -175.0 165.78 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 105' ' ' ASP . 32.6 m -34.05 126.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -134.77 -176.9 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -116.64 159.04 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.5 pt -101.61 152.08 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.415 ' O ' HG12 ' A' ' 112' ' ' VAL . 14.1 tt -175.0 166.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.1 p -43.7 97.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 110' ' ' ILE . 11.1 p -150.43 129.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 53.7 p -65.67 166.29 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 86.38 68.27 1.35 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -35.2 12.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.2 t -67.79 170.24 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -173.97 127.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -169.54 148.59 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 m -155.02 164.99 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.67 163.25 36.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 p -164.55 113.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.828 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -148.84 139.29 22.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.88 -113.15 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -74.72 97.22 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.05 -60.01 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t 64.19 35.0 10.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.3 t -93.36 -64.6 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 69.96 49.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -137.29 114.71 11.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 m 59.63 50.99 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 15' ' ' LEU . 14.3 mt -92.3 132.36 36.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.34 129.99 54.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -68.36 106.54 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.53 108.37 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -80.08 130.32 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -106.59 141.38 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -135.23 128.12 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.926 HD13 HG21 ' A' ' 25' ' ' VAL . 28.8 mt -82.83 130.36 35.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -70.9 -58.51 4.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.521 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.84 -36.49 10.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.295 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.926 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -83.45 -44.71 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 1.13 90.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -76.11 169.13 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -121.03 134.0 55.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -135.04 129.11 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -106.3 127.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.511 HD13 HD11 ' A' ' 42' ' ' LEU . 4.8 tt -150.79 131.53 7.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 144.0 52.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 4.0 t80 -146.22 149.57 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 117.51 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 73' ' ' VAL . 35.5 m -53.99 -25.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.43 -40.09 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -65.08 125.96 26.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.7 pt -46.58 173.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 66' ' ' LEU . 14.2 mt -79.5 -33.19 42.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HZ1' ' CE1' ' A' ' 54' ' ' HIS . 16.4 tptp -43.88 -57.82 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.2 m-85 -36.1 -55.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 15.9 tp -65.96 -39.34 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -47.18 -52.89 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.19 -41.64 84.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -42.63 -38.64 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 21.6 m-85 -92.75 -55.03 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 8.8 p -34.31 -60.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.5 p-80 -56.63 -54.25 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.641 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.19 -60.73 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.593 HD13 HG13 ' A' ' 97' ' ' VAL . 72.4 mt -59.16 -31.05 68.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.51 38.97 7.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 pt -140.99 153.05 66.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.719 ' O ' HG22 ' A' ' 56' ' ' VAL . 53.4 Cg_endo -69.73 106.43 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.625 2.216 . . . . 0.0 112.343 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.45 ' CE1' ' HZ1' ' A' ' 40' ' ' LYS . 19.2 p80 -36.62 -32.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' PRO . 78.4 p -41.1 -44.92 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 53' ' ' PRO . 13.0 m -76.92 -32.6 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.874 HD11 HG23 ' A' ' 87' ' ' ILE . 6.1 tp -77.59 155.31 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.431 ' H ' HD12 ' A' ' 57' ' ' LEU . 13.8 mm100 -147.46 177.64 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.47 133.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -115.08 125.97 54.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.455 ' CD2' ' HE3' ' A' ' 64' ' ' LYS . 18.1 t80 -128.24 126.75 41.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t 50.04 25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.5 24.48 53.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' CD2' ' A' ' 61' ' ' TYR . 4.5 ptpt -124.37 154.48 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.298 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.21 114.86 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.441 HD13 HD11 ' A' ' 39' ' ' LEU . 49.7 mt -89.09 158.91 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -116.13 164.0 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.4 p-10 -56.59 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.78 -27.48 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -49.64 158.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.427 ' CG2' HG22 ' A' ' 73' ' ' VAL . 2.2 m -137.62 143.65 41.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.7 mm? -55.55 -40.49 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 35' ' ' VAL . 23.8 m -67.67 -34.77 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.86 -34.88 73.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -82.95 -25.22 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.72 55.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.835 HG13 ' OE2' ' A' ' 81' ' ' GLU . 69.5 t -119.11 131.95 70.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.158 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 154.72 36.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.709 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.02 67.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 64.74 35.05 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.835 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.8 pt-20 -114.47 173.02 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.82 132.26 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 m -137.82 -179.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -146.82 113.21 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.18 161.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.72 141.43 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.874 HG23 HD11 ' A' ' 57' ' ' LEU . 20.1 mt -117.71 138.81 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.792 ' O ' HD12 ' A' ' 57' ' ' LEU . 36.3 p90 -161.42 177.1 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 7.8 t -116.86 136.05 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -66.29 -37.85 86.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.688 ' OD1' HD12 ' A' ' 94' ' ' LEU . 1.3 t-20 -125.61 83.01 62.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.03 37.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.28 -18.99 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.688 HD12 ' OD1' ' A' ' 91' ' ' ASN . 20.5 mt -112.93 -43.64 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CD1' HG11 ' A' ' 56' ' ' VAL . 27.2 m-85 -134.53 82.42 45.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.712 0.767 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.71 48.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.593 HG13 HD13 ' A' ' 50' ' ' LEU . 11.0 t -107.01 142.52 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.431 ' H ' HD22 ' A' ' 50' ' ' LEU . 48.3 mtp180 -129.85 159.06 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.738 ' HB3' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -55.55 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.7 mm -126.98 131.05 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -39.3 131.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -146.78 -101.25 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.51 145.37 55.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.5 t -139.99 143.08 36.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 106' ' ' VAL . 11.8 t0 -39.95 154.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 105' ' ' ASP . 3.7 m -33.97 132.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.9 t -139.07 147.55 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -124.52 159.76 29.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.7 pt -113.46 160.75 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.3 tp -172.07 144.16 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.7 m -96.87 147.87 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.7 p -101.24 137.45 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.0 p -86.4 178.65 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -119.76 146.27 17.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -171.57 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.5 t -157.54 177.72 11.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.7 t -138.38 151.48 47.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 3' ' ' SER . 87.6 p -78.53 134.4 37.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.2 m 35.82 42.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.9 67.89 0.49 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -60.62 175.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -112.26 -46.58 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.77 64.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -132.15 128.07 37.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -66.94 168.59 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m -83.25 91.08 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 11' ' ' VAL . 35.2 m -114.16 126.04 71.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -124.89 46.82 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -88.38 -46.2 9.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -79.78 -48.59 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -41.12 144.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.94 149.7 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.059 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.1 m -73.17 98.62 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.558 ' HA ' HG22 ' A' ' 83' ' ' VAL . 66.4 t -105.85 109.34 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -77.96 131.33 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.532 ' CG1' HD12 ' A' ' 87' ' ' ILE . 76.3 t -119.01 118.96 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.665 HG22 ' HG3' ' A' ' 28' ' ' GLU . 84.0 t -115.64 129.64 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.752 HD13 HG21 ' A' ' 25' ' ' VAL . 26.5 mt -78.88 126.71 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.7 mm -69.62 -57.97 6.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.72 -36.39 10.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.752 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -84.58 -47.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.84 -6.11 81.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.88 142.74 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.665 ' HG3' HG22 ' A' ' 21' ' ' VAL . 2.2 tt0 -93.25 153.13 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.426 HG13 ' C ' ' A' ' 28' ' ' GLU . 26.8 mt -146.57 126.79 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -106.48 119.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' ILE . 16.5 tt -147.08 130.76 8.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.4 4.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.6 t80 -113.29 144.66 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -76.68 125.13 28.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.89 -34.98 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.75 -31.77 68.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 41' ' ' TYR . 3.7 m -75.43 132.25 40.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 pt -47.1 173.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 66' ' ' LEU . 15.0 mt -75.96 -29.06 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' LYS . 15.3 tttt -48.87 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.451 ' HB2' ' CG2' ' A' ' 37' ' ' THR . 7.1 m-85 -35.17 -42.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 34.3 tp -64.5 -47.43 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' ILE . 5.5 ptpt -71.89 -20.88 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.41 -26.93 56.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.501 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 35.9 t-80 -71.31 -28.96 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -93.71 -30.96 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.2 p -60.14 -30.59 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.635 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 6.0 p-80 -85.17 -54.59 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 49' ' ' LEU . 1.3 tm? -51.08 -55.37 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.42 -33.44 75.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.44 -13.45 61.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.8 pt -89.21 150.03 44.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.3 Cg_endo -69.7 164.19 35.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -85.19 -13.1 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -57.78 -43.89 85.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.601 HG21 ' HB2' ' A' ' 95' ' ' TYR . 20.8 m -85.84 -32.33 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 87' ' ' ILE . 6.7 tp -78.5 151.17 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' H ' HD12 ' A' ' 57' ' ' LEU . 15.7 mm-40 -149.72 178.19 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 43' ' ' LYS . 73.7 mt -128.94 141.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -120.7 124.42 45.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.882 ' HB3' HD11 ' A' ' 66' ' ' LEU . 89.9 t80 -140.75 133.3 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t 54.54 29.08 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 13.44 60.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.52 130.74 53.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.85 120.42 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.882 HD11 ' HB3' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -96.06 155.0 16.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -111.62 165.72 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -59.98 -45.32 93.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -58.91 -28.95 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.39 139.08 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -120.0 148.24 43.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.6 mm? -49.69 -56.83 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.5 m -51.77 -39.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.11 -29.75 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -84.14 -16.02 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.06 50.84 0.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.682 HG13 ' OE2' ' A' ' 81' ' ' GLU . 85.1 t -121.87 122.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 156.12 39.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.57 67.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.355 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 67.96 26.93 7.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.682 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.2 pt-20 -115.98 166.23 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -110.22 137.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 18' ' ' VAL . 13.6 m -137.15 -176.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -146.56 117.42 7.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 m -128.22 147.13 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -112.36 138.57 48.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 57' ' ' LEU . 66.2 mt -116.28 145.35 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.2 p90 -166.53 159.11 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -102.91 133.12 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.3 p -60.14 -41.64 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -123.41 87.9 51.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.87 -32.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.8 mt -98.77 -48.68 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.601 ' HB2' HG21 ' A' ' 56' ' ' VAL . 32.1 m-85 -126.87 80.56 70.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 154.39 67.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 57.0 t -95.74 118.25 41.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.49 179.56 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.485 ' HB2' HG11 ' A' ' 25' ' ' VAL . 21.8 ttt-85 -97.75 145.99 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.1 mt -117.87 98.05 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -38.79 -53.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.72 -169.75 44.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 104' ' ' THR . 0.3 OUTLIER -51.77 118.13 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 103' ' ' LEU . 96.8 m -35.39 148.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -50.14 174.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.7 120.91 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.5 p -127.25 -175.47 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -129.01 105.47 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.688 HD13 ' H ' ' A' ' 109' ' ' ILE . 0.1 OUTLIER -140.2 158.78 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.1 tt -161.5 153.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 112' ' ' VAL . 15.3 t -152.62 166.02 33.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 111' ' ' THR . 97.9 t -35.92 112.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.4 m -82.52 177.2 8.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.812 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.22 -157.92 15.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -176.06 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.387 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -142.43 124.52 15.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.4 t -62.71 168.76 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -161.94 164.35 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -96.35 -44.08 7.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.56 77.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -42.99 126.81 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -114.42 127.62 55.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.64 118.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 10.2 pt20 -99.49 -41.66 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 8' ' ' GLN . 27.6 mt-10 -113.46 108.91 17.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -98.94 134.48 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.4 m -100.73 152.68 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -119.96 66.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -118.7 -47.13 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.0 m -99.9 8.92 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.2 mt -88.73 124.59 34.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.15 132.54 54.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.2 m -65.26 97.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.521 ' HA ' HG22 ' A' ' 83' ' ' VAL . 80.6 t -100.39 109.61 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.623 ' O ' HG22 ' A' ' 85' ' ' VAL . 29.8 mtmm -78.96 143.16 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.9 t -126.34 124.23 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.525 HG22 ' HG2' ' A' ' 28' ' ' GLU . 64.6 t -119.7 126.79 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.648 HD13 HG21 ' A' ' 25' ' ' VAL . 27.1 mt -77.54 128.04 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.03 -58.8 3.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.3 Cg_endo -69.82 -35.27 12.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG21 HD13 ' A' ' 22' ' ' LEU . 2.6 t -85.13 -53.37 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.12 4.63 64.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HB3' HD12 ' A' ' 22' ' ' LEU . 25.6 tt0 -84.02 143.6 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.525 ' HG2' HG22 ' A' ' 21' ' ' VAL . 15.4 mt-10 -94.68 141.07 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.2 mt -139.41 142.12 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -123.44 130.53 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 42' ' ' LEU . 2.3 tt -152.5 132.35 7.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.27 13.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.285 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.4 t80 -127.07 164.33 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -100.25 131.04 46.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 73' ' ' VAL . 17.9 m -73.8 -20.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -98.61 21.67 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.8 m -131.03 128.93 41.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 pt -43.62 156.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD21 HD11 ' A' ' 72' ' ' LEU . 30.6 mt -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 13.8 tptt -41.34 -58.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -34.88 -61.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -59.05 -40.01 83.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.7 ttmt -55.94 -62.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.97 -30.31 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.475 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.1 t60 -59.85 -39.81 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -85.74 -34.01 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p -58.38 -37.19 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.7 p-80 -78.41 -54.84 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -54.12 -62.36 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.13 -37.87 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.3 -4.55 44.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 15.0 pt -100.95 147.54 33.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.745 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.31 50.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -82.99 9.48 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -87.5 -8.06 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.16 -24.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.52 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.3 tp -84.67 131.34 34.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -135.4 154.53 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.2 148.3 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -128.04 126.39 41.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.809 ' HB3' HD11 ' A' ' 66' ' ' LEU . 80.2 t80 -136.5 135.76 38.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.5 t 57.1 25.54 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.803 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.33 9.55 85.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 146.79 49.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.52 142.6 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.809 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.3 mt -117.84 155.32 30.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -99.01 160.14 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -71.2 -45.12 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -59.13 -25.48 63.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.58 -178.23 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 1.4 m -145.13 164.04 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.1 mm? -68.47 -35.81 78.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 35' ' ' VAL . 20.8 m -69.45 -16.3 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 71' ' ' THR . 49.3 mt-30 -83.91 -16.96 42.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -102.46 -12.3 17.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.67 59.48 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.413 HG13 ' OE2' ' A' ' 81' ' ' GLU . 72.9 t -128.2 120.7 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.943 0.402 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -90.83 157.57 43.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.64 63.67 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 64.21 47.61 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.413 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.6 pt-20 -130.77 163.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.1 mt -106.03 132.17 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 18' ' ' VAL . 12.6 m -135.47 166.63 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -130.86 114.79 15.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 19' ' ' LYS . 31.1 m -122.11 163.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -121.35 152.1 39.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.52 HG23 ' CD1' ' A' ' 57' ' ' LEU . 15.0 mt -131.09 139.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -163.0 169.48 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.0 t -114.06 122.33 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -46.6 -38.75 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -127.96 86.26 58.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -11.88 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.51 -31.05 63.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.64 -50.56 4.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 55.4 m-85 -128.45 80.99 71.51 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.7 38.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.61 ' CG1' HD22 ' A' ' 22' ' ' LEU . 45.1 t -76.0 121.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -99.68 165.19 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.411 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.7 ptt180 -82.0 156.17 24.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.407 HD13 ' HG ' ' A' ' 49' ' ' LEU . 23.2 mt -121.86 105.02 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -53.31 126.17 20.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.08 147.87 15.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.7 tp -122.0 96.27 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.3 t -172.75 147.54 1.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -173.64 114.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.88 123.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -165.12 -178.69 5.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? -141.86 163.64 32.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 pt -114.44 102.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.6 tt -151.16 146.82 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.5 m -162.06 130.6 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.1 m -87.5 138.76 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 p -91.06 173.81 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -151.16 147.73 18.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.36 8.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 93.7 p -149.17 170.4 18.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -148.6 174.78 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' GLY . 78.8 p 34.63 42.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -124.26 170.89 10.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 49.24 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -118.68 149.73 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -51.33 115.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.99 -100.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 51.29 48.18 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.47 -40.81 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -85.0 156.85 20.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.62 120.91 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.57 44.18 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 13' ' ' ASP . 0.8 OUTLIER -96.17 -31.07 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.7 m -87.08 -37.26 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.88 134.95 25.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.45 153.58 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -82.36 109.18 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.74 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' O ' HG22 ' A' ' 85' ' ' VAL . 92.1 mttt -78.65 123.34 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.786 ' CG1' HD12 ' A' ' 87' ' ' ILE . 78.9 t -101.24 126.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG22 ' HG2' ' A' ' 28' ' ' GLU . 54.2 t -115.88 134.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 25' ' ' VAL . 37.2 mt -88.72 127.43 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -72.05 -58.57 3.23 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.733 . . . . 0.0 111.159 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.82 -27.74 25.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.821 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -94.51 -54.25 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.89 63.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -76.97 155.72 32.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG2' HG22 ' A' ' 21' ' ' VAL . 35.2 mt-10 -111.83 133.42 54.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -133.96 126.51 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.2 t -99.89 116.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HD2' ' A' ' 32' ' ' PRO . 1.8 tp -129.32 133.46 25.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.447 ' HD2' HD12 ' A' ' 31' ' ' ILE . 53.3 Cg_endo -69.76 113.23 3.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -126.35 156.33 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -88.93 162.23 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.7 m -99.06 -31.18 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.95 25.8 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -130.15 138.33 50.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 pt -56.23 150.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.16 -21.07 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -49.3 -49.69 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -47.06 -56.33 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 20.7 tp -62.53 -33.03 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -57.82 -70.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -39.11 -36.48 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.45 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 3.7 t60 -51.08 -58.95 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -76.56 -35.93 57.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.539 ' H ' ' HG ' ' A' ' 47' ' ' SER . 0.7 OUTLIER -54.83 -49.15 71.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -68.3 -54.92 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.661 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -50.84 -59.93 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.51 -26.95 45.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.48 25.22 31.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 38.0 pt -130.61 150.66 76.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.658 0.742 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.73 36.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.56 -19.7 27.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -54.77 -59.08 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.598 HG21 ' HB2' ' A' ' 95' ' ' TYR . 18.2 m -69.3 -28.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.739 HD11 HG23 ' A' ' 87' ' ' ILE . 11.1 tp -81.72 142.72 32.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -143.6 171.68 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.1 mt -130.71 134.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -114.78 137.07 52.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CB ' HD11 ' A' ' 66' ' ' LEU . 65.2 t80 -144.67 125.09 13.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 64.33 26.05 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.26 -9.72 66.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -93.99 161.9 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.9 mm -102.14 99.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 75' ' ' HIS . 21.6 mt -69.11 163.46 24.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 24.0 mtpt -129.79 166.43 19.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.427 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.4 p-10 -59.89 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.427 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 4.3 t30 -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 67' ' ' LYS . 27.0 mt-10 -55.26 160.68 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.16 150.09 51.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.27 -55.91 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.98 -46.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.24 -31.05 13.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.653 ' CE1' HD22 ' A' ' 66' ' ' LEU . 97.0 m-70 -84.82 -28.74 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.03 57.91 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.819 HG13 ' OE2' ' A' ' 81' ' ' GLU . 96.7 t -121.98 121.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -86.17 155.7 57.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.5 48.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 62.36 39.97 11.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.819 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.6 pt-20 -118.33 163.94 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.7 mt -107.58 118.73 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.98 -175.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -142.1 122.29 13.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 19' ' ' LYS . 33.4 m -128.25 171.8 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -133.28 153.17 51.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.786 HD12 ' CG1' ' A' ' 20' ' ' VAL . 72.1 mt -129.79 137.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.5 p90 -163.29 167.55 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -114.72 142.25 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -67.25 -31.54 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -132.12 85.3 50.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -11.0 29.83 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.71 -31.46 61.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.99 -51.83 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.598 ' HB2' HG21 ' A' ' 56' ' ' VAL . 39.4 m-85 -126.69 81.29 69.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.684 0.754 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 153.89 68.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.3 t -96.58 141.3 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -132.27 169.56 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.464 ' CD ' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -65.8 164.14 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.4 mm -94.34 113.56 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -41.15 160.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.05 159.06 27.39 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tp -87.65 127.13 35.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 p -89.81 175.36 7.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -108.19 -50.36 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.9 t -130.09 133.23 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -173.11 166.59 4.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -160.94 144.38 13.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.9 tp -145.38 140.35 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 12.8 tt -137.96 153.67 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.5 m -62.18 118.59 7.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.3 t -130.02 148.12 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.2 p -46.15 161.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -165.23 -179.87 39.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.81 55.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.8 p -130.66 169.99 14.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.7 p -86.4 178.36 7.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.809 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -95.86 98.0 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -129.35 137.71 51.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.42 179.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -78.58 81.74 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -171.51 131.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.69 161.94 16.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -108.12 -55.09 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -48.18 137.83 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -170.1 168.47 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.66 157.68 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -114.17 21.08 15.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.89 -49.05 72.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -85.04 -45.72 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -39.74 140.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.48 140.24 52.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -72.05 97.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.498 ' HA ' HG22 ' A' ' 83' ' ' VAL . 54.9 t -102.49 111.57 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' HG22 ' A' ' 85' ' ' VAL . 53.3 mttm -79.29 128.47 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.581 ' CG1' HD12 ' A' ' 87' ' ' ILE . 97.8 t -111.17 123.43 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 28' ' ' GLU . 51.8 t -120.96 128.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.791 HD13 HG21 ' A' ' 25' ' ' VAL . 37.9 mt -80.44 126.96 31.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -70.52 -58.69 4.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.73 -34.81 13.91 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.791 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -85.94 -46.52 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.4 83.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.523 ' HB3' HD12 ' A' ' 22' ' ' LEU . 22.1 tt0 -70.67 153.62 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.453 ' HG2' HG22 ' A' ' 21' ' ' VAL . 31.9 mt-10 -111.22 140.75 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 30' ' ' VAL . 80.0 mt -136.19 153.15 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.43 ' N ' HG22 ' A' ' 29' ' ' ILE . 85.4 t -132.98 113.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.56 128.59 10.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 124.87 11.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.8 t80 -126.37 135.8 51.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -62.8 133.43 54.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -73.71 -37.95 50.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.54 35.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.4 m -137.19 139.62 41.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.5 pp -51.55 169.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 67' ' ' LYS . 10.1 mt -91.53 -28.12 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.0 tttm -33.14 -71.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.873 ' CD2' HD11 ' A' ' 38' ' ' ILE . 42.0 m-85 -36.48 -64.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 23.2 tp -48.17 -36.32 13.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' LYS . 25.5 ttmt -68.6 -60.04 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.85 -25.59 20.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -62.77 -38.09 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -89.33 -33.37 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 3.7 p -58.42 -58.63 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.649 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.7 p-80 -57.75 -53.85 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.649 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -51.79 -58.4 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 mt -57.68 -20.44 33.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.51 5.16 75.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.76 151.18 46.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.28 57.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.45 -19.41 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -53.15 -38.07 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 57' ' ' LEU . 33.0 m -90.46 -45.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 56' ' ' VAL . 3.3 tp -66.81 140.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' N ' HD12 ' A' ' 57' ' ' LEU . 5.4 mm-40 -141.79 171.68 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.416 HD12 ' HE3' ' A' ' 43' ' ' LYS . 20.1 mt -128.62 147.12 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -122.7 139.6 53.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.538 ' HB3' HD21 ' A' ' 66' ' ' LEU . 68.3 t80 -154.93 130.47 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 58.44 25.15 12.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.07 5.45 75.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -119.19 139.21 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.711 0.291 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.39 116.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 61' ' ' TYR . 6.2 mt -78.54 161.75 26.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.612 ' O ' HD12 ' A' ' 39' ' ' LEU . 32.6 tttm -112.75 165.25 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -71.15 -49.58 42.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -69.41 -2.92 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 24.2 mm-40 -83.87 160.07 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.44 148.2 45.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.486 HD21 ' CD2' ' A' ' 39' ' ' LEU . 4.2 mm? -58.91 -44.95 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 m -65.58 -26.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.71 -25.62 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -92.21 -39.98 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.92 61.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.815 HG13 ' OE2' ' A' ' 81' ' ' GLU . 61.6 t -131.34 133.71 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -103.3 157.61 33.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 147.71 63.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 58.5 44.38 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.815 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.8 pt-20 -121.13 168.28 11.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.7 mt -116.71 124.81 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 18' ' ' VAL . 3.4 m -128.39 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -145.34 115.48 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 19' ' ' LYS . 18.7 m -125.26 145.98 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -108.37 138.83 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.581 HD12 ' CG1' ' A' ' 20' ' ' VAL . 38.9 mt -111.15 142.99 21.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 3.5 p90 -164.64 163.34 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 t -114.78 142.86 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.4 p -73.64 -37.22 65.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -111.23 80.84 2.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -36.47 10.75 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.08 -39.0 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.28 -51.73 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.475 ' CD1' HG11 ' A' ' 56' ' ' VAL . 64.3 m-85 -125.64 80.93 65.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.81 28.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.46 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 40.6 t -74.76 118.5 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.19 177.81 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.69 172.59 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.2 mt -141.61 141.71 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.21 178.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.87 172.09 13.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.604 ' H ' HD23 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -95.55 105.29 17.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.947 0.403 . . . . 0.0 110.94 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 75.3 p -122.51 168.23 12.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.0 39.15 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.98 119.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.9 p -131.02 146.31 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -107.85 41.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.4 tt -76.16 -34.82 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.441 HG23 HG23 ' A' ' 112' ' ' VAL . 14.8 tt -50.47 156.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.8 m -45.69 99.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 110' ' ' ILE . 48.6 t -135.74 144.06 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 112' ' ' VAL . 10.9 t -35.22 125.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -102.79 170.28 19.89 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -167.86 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.2 p -172.71 157.12 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.6 p -170.44 143.68 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m 53.07 42.13 32.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -102.51 141.87 34.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.13 -79.58 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -107.83 90.78 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 7' ' ' GLY . 58.1 m -143.58 129.97 19.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.73 -84.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -169.71 112.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -86.5 134.81 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.4 p -99.47 43.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.7 p -128.53 131.4 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -124.43 39.73 3.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -44.05 -44.94 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.3 p -106.12 -41.08 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.8 mt -39.4 146.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.1 156.73 46.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 m -85.91 108.79 18.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -109.33 101.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.26 129.64 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.43 131.38 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.28 131.44 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.827 HD13 HG21 ' A' ' 25' ' ' VAL . 55.8 mt -84.43 127.05 33.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -72.51 -58.2 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.709 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -22.25 32.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.637 2.224 . . . . 0.0 112.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.827 HG21 HD13 ' A' ' 22' ' ' LEU . 2.7 t -101.73 -57.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 99.02 6.22 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.533 ' HB3' HD12 ' A' ' 22' ' ' LEU . 8.9 tt0 -81.06 148.75 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -106.33 131.19 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -127.79 150.47 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.47 126.25 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 6.5 tt -153.23 135.96 9.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.71 139.97 41.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 7.4 t80 -148.23 154.56 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 4.9 mptt -80.94 138.26 36.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.617 ' O ' HG13 ' A' ' 73' ' ' VAL . 26.1 m -83.89 -22.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.65 9.98 42.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.6 m -115.93 140.25 49.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.826 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.6 pp -47.46 172.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.6 mt -91.48 -29.23 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HB3' HD13 ' A' ' 38' ' ' ILE . 20.0 tptt -32.14 -71.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.826 ' CD2' HD11 ' A' ' 38' ' ' ILE . 44.1 m-85 -34.07 -45.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 19.1 tp -70.59 -43.43 69.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 40' ' ' LYS . 8.2 ttmm -53.37 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' HIS . 38.3 m-20 -48.32 -49.08 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' ASP . 3.7 t60 -34.61 -39.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 45.0 m-85 -90.82 -55.09 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' PHE . 15.3 m -37.04 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.4 p-80 -46.3 -54.19 9.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.655 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.52 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.61 -26.87 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.85 17.05 49.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 33.7 pt -122.43 151.53 59.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.21 47.54 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -67.0 -12.26 59.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -57.54 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 95' ' ' TYR . 30.3 m -73.21 -36.36 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.582 HD11 HG23 ' A' ' 87' ' ' ILE . 8.8 tp -69.9 139.63 53.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -137.33 169.07 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.6 mt -131.43 123.94 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -109.52 131.71 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -138.81 125.35 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t 55.45 29.41 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.45 15.4 81.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.08 155.97 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -97.01 102.21 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -69.83 -177.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 39' ' ' LEU . 27.7 mttp -164.92 178.6 7.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.96 -71.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.57 -26.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 148.24 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.54 161.63 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -64.43 -44.5 91.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 35' ' ' VAL . 27.2 m -66.73 -21.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -76.43 -25.82 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -91.69 -21.28 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.76 52.13 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.78 HG13 ' OE2' ' A' ' 81' ' ' GLU . 78.2 t -125.56 135.86 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.06 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -107.67 160.58 26.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.519 0.676 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.19 59.25 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 62.62 41.14 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.78 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.5 pt-20 -125.45 161.71 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.52 134.03 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.93 -177.49 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -144.04 119.89 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.82 162.37 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -121.87 139.7 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.582 HG23 HD11 ' A' ' 57' ' ' LEU . 19.9 mt -117.96 140.99 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.8 p90 -163.46 173.3 13.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 t -119.65 135.88 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.1 p -63.75 -36.84 85.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -128.33 86.96 56.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -17.53 37.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.22 -37.82 81.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.2 mt -90.04 -53.35 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.504 ' HB2' HG21 ' A' ' 56' ' ' VAL . 27.1 m-85 -126.95 78.61 73.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.682 0.753 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 141.06 44.04 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.477 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 42.8 t -77.13 142.65 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -121.15 -176.39 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.525 ' HB2' HG11 ' A' ' 25' ' ' VAL . 13.4 ttp180 -102.02 147.36 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.7 mt -113.57 136.25 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -89.38 168.24 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.8 154.49 16.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -60.28 -12.45 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.892 ' N ' HD13 ' A' ' 103' ' ' LEU . 93.8 m -64.07 -44.88 91.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -93.76 132.1 38.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.6 p -93.04 135.77 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 m -128.78 93.95 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -106.57 -45.09 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 109' ' ' ILE . 2.0 tp -132.03 85.23 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.5 tp -151.71 140.9 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.9 p -86.22 115.17 23.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 113' ' ' SER . 9.9 p -98.24 142.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.3 t -35.18 139.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -108.19 72.05 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -12.71 33.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t 55.46 49.21 17.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.7 t -96.83 128.38 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD21 ' HD2' ' A' ' 34' ' ' LYS . 12.6 mt . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.849 0.357 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 81' ' ' GLU . . . -121.19 163.29 18.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -87.26 110.92 20.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.95 109.72 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -81.93 136.76 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.526 ' CG1' HD12 ' A' ' 87' ' ' ILE . 63.2 t -116.75 131.65 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.96 127.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.764 HD13 HG21 ' A' ' 25' ' ' VAL . 34.7 mt -77.25 127.6 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.6 mm -70.93 -58.38 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.688 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.73 -33.88 15.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.749 2.299 . . . . 0.0 112.317 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.764 HG21 HD13 ' A' ' 22' ' ' LEU . 2.6 t -87.03 -46.86 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.52 83.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' HB3' HD12 ' A' ' 22' ' ' LEU . 6.5 tt0 -70.12 174.07 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -129.6 129.5 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.0 mt -136.29 132.53 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -113.29 131.29 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.47 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 3.5 tt -151.8 136.39 10.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.75 135.5 30.63 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -141.62 143.55 33.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HD2' HD21 ' A' ' 15' ' ' LEU . 1.3 mptm? -73.66 142.22 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 73' ' ' VAL . 33.3 m -79.56 -18.18 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -92.39 -21.38 20.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.2 m -83.58 132.81 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.4 pt -52.3 166.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 66' ' ' LEU . 14.0 mt -73.97 -43.72 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.5 ttpp -35.33 -60.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -36.0 -48.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 24.5 tp -71.36 -36.53 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.6 ttpp -67.52 -65.96 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' LYS . 22.3 t70 -34.92 -32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LYS . 5.3 t60 -60.88 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -50.32 -34.81 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -56.34 -68.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.2 p-80 -49.14 -54.75 14.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.663 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.3 tm? -49.61 -53.92 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 98' ' ' ARG . 19.6 mt -64.83 -26.4 68.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.02 12.85 59.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.5 pt -118.79 149.51 46.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.6 Cg_endo -69.74 160.08 51.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -85.32 -16.95 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -55.28 -23.84 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG21 ' HB2' ' A' ' 95' ' ' TYR . 35.4 m -106.82 -31.77 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 87' ' ' ILE . 11.3 tp -79.6 136.5 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.44 ' N ' HD12 ' A' ' 57' ' ' LEU . 7.1 mt-30 -138.48 179.83 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 60' ' ' ARG . 29.7 mt -130.14 159.19 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.509 HH21 HD11 ' A' ' 65' ' ' ILE . 20.4 ttm180 -136.9 138.91 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.528 ' CB ' HD11 ' A' ' 66' ' ' LEU . 72.7 t80 -150.08 125.3 10.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.3 p 56.29 38.73 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.22 20.77 69.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -120.57 162.99 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.509 HD11 HH21 ' A' ' 60' ' ' ARG . 40.0 mm -103.27 102.77 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.528 HD11 ' CB ' ' A' ' 61' ' ' TYR . 61.3 mt -74.14 141.99 45.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -97.11 162.09 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -62.84 -55.54 25.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.77 -5.79 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.66 156.75 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.97 158.97 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.5 mm? -65.51 -43.69 89.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 35' ' ' VAL . 15.7 m -63.35 -19.63 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.5 -33.16 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.449 ' CD2' HD22 ' A' ' 66' ' ' LEU . 12.5 m-70 -86.23 -18.94 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.88 60.16 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.915 HG13 ' OE2' ' A' ' 81' ' ' GLU . 85.7 t -129.69 126.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.502 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 20.6 mmtp -95.48 160.73 29.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.502 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.6 Cg_endo -69.66 153.91 68.78 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 58.82 43.79 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.915 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.8 pt-20 -126.3 163.19 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.87 134.9 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.4 177.71 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -139.98 124.58 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.4 153.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 57' ' ' LEU . 49.7 mt -119.81 146.58 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.9 p90 -166.77 164.28 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 t -116.24 134.34 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.1 p -61.92 -40.35 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.617 HD22 HD12 ' A' ' 94' ' ' LEU . 4.0 m120 -111.66 81.75 3.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -36.15 11.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -61.95 -36.81 82.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.617 HD12 HD22 ' A' ' 91' ' ' ASN . 28.3 mt -89.79 -52.67 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.466 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m-85 -125.58 80.63 65.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.713 0.768 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.3 60.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 48.0 t -97.13 125.76 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.51 ' H ' HD22 ' A' ' 50' ' ' LEU . 17.2 mmm180 -112.93 175.01 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.761 ' HG3' HG11 ' A' ' 25' ' ' VAL . 44.8 mtm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 ' CD ' ' A' ' 34' ' ' LYS . 12.2 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.69 149.29 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.4 m -79.16 98.34 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.84 114.61 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 85' ' ' VAL . 39.2 mtmt -88.21 138.16 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 87' ' ' ILE . 57.8 t -121.68 130.74 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.9 t -123.95 128.54 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 25' ' ' VAL . 41.6 mt -78.44 126.45 30.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.8 -58.4 3.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.671 0.748 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.8 -21.26 33.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.71 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -103.16 -58.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 103.24 -5.1 48.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.592 ' HB3' HD12 ' A' ' 22' ' ' LEU . 13.2 tt0 -70.04 156.11 39.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -111.95 136.88 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.13 139.39 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.02 125.71 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -149.1 133.65 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HB2' HD22 ' A' ' 15' ' ' LEU . 54.1 Cg_endo -69.72 127.2 14.28 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.351 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 4.3 t80 -128.0 141.08 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.521 ' CD ' HD21 ' A' ' 15' ' ' LEU . 1.6 mppt? -80.47 122.02 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.428 ' HB ' HG13 ' A' ' 73' ' ' VAL . 32.5 m -58.38 -22.84 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 p30 -89.56 -9.06 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.7 m -94.29 125.18 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -46.78 167.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 15.0 mt -74.98 -40.48 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 30.1 tttp -36.58 -57.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.0 m-85 -36.29 -58.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.3 tp -58.09 -41.62 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -56.67 -52.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.595 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.3 t60 -48.89 -34.78 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 37.0 m-85 -91.12 -64.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' PHE . 2.0 t -34.53 -50.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.698 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.0 p-80 -61.56 -52.53 64.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.698 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -60.25 -62.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.3 mt -48.82 -24.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.36 -26.09 24.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 28.8 pt -83.9 151.04 60.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.8 Cg_endo -69.8 148.9 65.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -69.88 -16.69 63.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -53.33 -59.93 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 95' ' ' TYR . 31.2 m -70.18 -40.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 87' ' ' ILE . 5.5 tp -66.38 138.61 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.24 166.46 25.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 60' ' ' ARG . 94.1 mt -120.94 159.61 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.54 ' N ' HG22 ' A' ' 59' ' ' ILE . 12.1 ttp180 -135.58 127.22 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.736 ' HB3' HD11 ' A' ' 66' ' ' LEU . 79.5 t80 -142.87 125.32 15.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t 68.75 29.68 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.78 2.09 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 145.12 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.6 mm -79.98 123.59 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 61' ' ' TYR . 7.5 mt -88.91 178.97 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -133.04 179.23 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -75.94 -60.06 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -57.05 -12.74 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.28 138.85 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -113.31 149.06 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.4 mm? -55.26 -48.11 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 35' ' ' VAL . 2.8 m -60.31 -34.77 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.87 -26.98 68.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -87.08 -28.08 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.36 51.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.828 HG13 ' OE2' ' A' ' 81' ' ' GLU . 59.5 t -123.61 127.32 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.372 . . . . 0.0 111.106 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.491 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 28.9 mmtm -101.22 160.73 25.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.549 0.69 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 53.7 Cg_endo -69.78 149.43 66.76 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 66.07 44.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.828 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.0 pt-20 -129.52 160.19 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mt -111.17 125.27 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.75 175.75 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -140.39 128.13 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 19' ' ' LYS . 10.3 m -135.27 148.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.42 138.22 48.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 57' ' ' LEU . 20.1 mt -111.08 141.68 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -158.74 174.0 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -126.67 135.17 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -68.81 -39.57 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.596 ' ND2' HD12 ' A' ' 94' ' ' LEU . 3.9 m120 -109.78 81.02 1.83 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.63 24.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -40.6 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.596 HD12 ' ND2' ' A' ' 91' ' ' ASN . 33.0 mt -86.78 -50.45 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.568 ' HB2' HG21 ' A' ' 56' ' ' VAL . 28.9 m-85 -127.53 79.44 73.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 154.97 66.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.471 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 60.2 t -93.44 140.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -123.56 -179.98 4.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 80' ' ' GLN . 29.5 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.69 132.38 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -69.57 102.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -102.78 110.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HG2' HG22 ' A' ' 30' ' ' VAL . 20.4 mtpp -84.78 121.0 27.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 87' ' ' ILE . 53.6 t -101.71 141.49 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.29 131.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.742 HD13 HG21 ' A' ' 25' ' ' VAL . 59.9 mt -82.38 124.18 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -71.15 -58.28 4.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 -28.62 24.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -94.4 -56.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.45 -8.08 51.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.55 ' HB3' HD12 ' A' ' 22' ' ' LEU . 4.8 tt0 -78.46 138.95 38.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.429 ' C ' HG13 ' A' ' 29' ' ' ILE . 19.4 tt0 -99.93 154.22 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 28' ' ' GLU . 55.9 mt -147.23 130.22 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.431 HG22 ' HG2' ' A' ' 19' ' ' LYS . 76.3 t -105.49 122.71 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.472 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 7.7 tt -143.65 136.11 13.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.669 0.747 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.73 118.74 5.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.5 t80 -119.75 153.7 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -88.77 136.53 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.43 -19.72 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -100.11 24.56 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 m -133.56 138.68 46.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.455 HD12 ' CB ' ' A' ' 40' ' ' LYS . 28.0 pt -52.16 156.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 67' ' ' LYS . 9.4 mt -69.88 -34.55 73.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.455 ' CB ' HD12 ' A' ' 38' ' ' ILE . 5.1 tmtm? -36.47 -56.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.5 m-85 -34.97 -59.13 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 9.7 tp -66.73 -39.26 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -51.26 -59.6 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 45' ' ' HIS . 2.7 p30 -56.32 -51.9 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 4.6 t60 -36.41 -38.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -87.79 -55.3 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.9 t -39.58 -59.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.669 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.9 p-80 -55.06 -55.12 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.669 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -49.69 -62.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 98' ' ' ARG . 17.4 mt -52.14 -24.98 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.24 5.3 72.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 pt -112.93 151.39 44.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.7 152.48 69.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -77.46 -14.81 59.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -56.56 -25.65 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 95' ' ' TYR . 27.1 m -105.09 -32.59 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.516 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.4 tp -75.65 137.08 40.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' HG3' HG23 ' A' ' 90' ' ' THR . 20.7 mt-30 -137.9 163.67 30.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.39 128.39 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.473 ' CZ ' ' OE1' ' A' ' 86' ' ' GLU . 18.0 ttp180 -109.97 130.56 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CB ' HD11 ' A' ' 66' ' ' LEU . 61.8 t80 -136.04 127.69 28.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t 53.71 38.15 27.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.75 26.03 74.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -127.14 157.47 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.713 0.292 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.29 91.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.541 HD11 ' CB ' ' A' ' 61' ' ' TYR . 46.5 mt -60.93 161.18 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 39' ' ' LEU . 36.0 mttp -125.56 -176.29 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -78.95 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.71 -21.81 42.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.53 132.37 47.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m -100.47 159.77 14.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.528 HD21 HD23 ' A' ' 39' ' ' LEU . 4.0 mm? -65.47 -51.37 60.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 m -57.46 -27.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.84 -35.96 81.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -83.75 -23.69 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.12 67.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.965 HG13 ' OE2' ' A' ' 81' ' ' GLU . 94.9 t -132.03 120.3 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -88.21 153.87 51.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.543 0.687 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.43 57.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' LEU . 94.3 mt-30 62.28 38.99 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.965 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.4 pt-20 -118.33 177.03 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.6 mt -122.76 133.38 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.92 -177.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -142.87 116.23 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.0 m -118.21 170.34 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 60' ' ' ARG . 35.0 mt-10 -132.14 138.8 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.516 HG23 ' CD1' ' A' ' 57' ' ' LEU . 25.2 mt -119.39 139.72 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -165.03 167.98 17.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.8 t -114.86 134.17 55.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.401 HG23 ' HG3' ' A' ' 58' ' ' GLN . 65.1 p -62.8 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.697 ' ND2' HD12 ' A' ' 94' ' ' LEU . 11.7 t-20 -119.34 80.93 21.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.568 0.699 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -15.32 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.85 -36.83 62.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.697 HD12 ' ND2' ' A' ' 91' ' ' ASN . 17.2 mt -92.23 -46.9 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 56' ' ' VAL . 50.2 m-85 -128.54 80.6 72.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.758 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.75 48.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.405 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 20.9 t -86.08 118.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.428 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 4.8 mmp_? -109.07 148.37 30.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 6.7 ttp-105 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.38 137.82 53.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -63.84 106.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.39 117.7 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -94.32 125.01 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG11 HD12 ' A' ' 87' ' ' ILE . 97.1 t -104.68 132.01 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.497 HG22 ' HG3' ' A' ' 28' ' ' GLU . 58.2 t -120.89 129.77 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.735 HD13 HG21 ' A' ' 25' ' ' VAL . 29.2 mt -81.55 125.39 30.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -70.04 -57.96 5.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.148 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.76 -33.24 16.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.735 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -88.12 -52.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.99 3.66 63.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HB3' HD12 ' A' ' 22' ' ' LEU . 16.0 tt0 -81.63 156.52 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 21' ' ' VAL . 7.0 mp0 -112.15 135.97 52.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.1 mt -132.72 140.72 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -117.37 125.69 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -152.43 134.07 8.33 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 119.73 6.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.6 t80 -122.06 148.4 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -81.53 138.18 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 73' ' ' VAL . 21.1 m -83.64 -6.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -112.0 -0.33 15.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.5 m -104.11 124.92 49.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pt -40.6 142.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.83 -15.48 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -51.89 -47.4 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -45.98 -66.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -62.76 -42.61 99.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.75 -49.33 59.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -43.74 -36.54 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.47 -26.66 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -66.35 -38.39 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.666 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.6 p-80 -76.39 -54.72 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.666 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 1.5 tm? -50.16 -56.49 10.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 98' ' ' ARG . 41.8 mt -61.63 -41.37 97.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.22 -0.11 44.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.2 pt -104.24 150.61 38.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 139.34 39.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -58.9 -12.47 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -58.69 -55.84 29.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 95' ' ' TYR . 5.3 m -74.11 -28.09 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.421 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.2 tp -80.35 135.9 36.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -136.38 171.33 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.6 mt -127.13 140.94 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -123.69 133.84 53.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.735 ' HB3' HD11 ' A' ' 66' ' ' LEU . 78.6 t80 -151.21 138.53 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 55.65 31.01 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.78 6.37 43.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -122.91 137.29 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.0 mm -73.06 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 61' ' ' TYR . 2.0 mt -106.87 158.74 16.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -114.5 157.9 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -58.97 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -48.87 -22.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 157.4 22.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.65 170.83 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.2 mm? -69.15 -37.17 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 35' ' ' VAL . 13.8 m -60.2 -41.57 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -64.71 -11.09 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -105.95 -14.13 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.42 64.09 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.55 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.661 HG13 ' OE2' ' A' ' 81' ' ' GLU . 46.8 t -138.75 136.4 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -106.1 156.16 37.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.57 43.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 73.93 44.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.661 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.6 pt-20 -126.96 168.4 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.3 mt -110.72 131.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -141.35 -177.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -146.49 117.94 7.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.551 HG12 ' CD1' ' A' ' 61' ' ' TYR . 6.4 m -123.6 144.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -103.1 159.53 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.544 HD12 HG11 ' A' ' 20' ' ' VAL . 22.9 mt -137.62 140.73 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -161.15 168.8 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 t -119.83 131.71 55.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.9 p -61.65 -28.67 69.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -123.02 81.89 50.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.43 25.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.58 -48.11 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 95' ' ' TYR . 18.8 mt -79.43 -44.81 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.449 ' HB2' HG21 ' A' ' 56' ' ' VAL . 40.0 m-85 -134.41 81.9 47.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.56 41.59 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.44 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 56.8 t -103.18 130.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.619 ' H ' HD22 ' A' ' 50' ' ' LEU . 37.7 mmm-85 -112.55 158.87 19.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.521 ' HB3' HG11 ' A' ' 25' ' ' VAL . 12.7 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.75 129.98 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -65.34 101.73 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.3 t -104.56 112.9 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 85' ' ' VAL . 59.0 mttm -85.7 139.54 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.647 ' CG1' HD12 ' A' ' 87' ' ' ILE . 77.6 t -120.79 118.99 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -113.35 127.27 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.831 HD13 HG21 ' A' ' 25' ' ' VAL . 61.3 mt -75.49 126.37 30.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -70.87 -58.7 4.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -33.43 16.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.831 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -88.0 -52.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.51 -5.39 60.44 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.438 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.556 ' HB3' HD12 ' A' ' 22' ' ' LEU . 38.4 tt0 -76.69 144.22 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -106.04 144.43 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.9 mt -137.62 148.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -122.22 125.03 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.456 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.9 tt -149.12 137.33 11.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.0 Cg_endo -69.77 141.68 45.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 6.2 t80 -146.44 151.02 36.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.73 127.13 34.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 73' ' ' VAL . 26.6 m -68.82 -12.8 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 5.44 37.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.7 m -107.61 131.3 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.4 pt -51.49 144.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 72' ' ' LEU . 9.3 mt -61.8 -23.69 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 2.6 tmtt? -46.01 -64.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.8 m-85 -34.51 -69.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 19.6 tp -43.96 -42.71 6.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 10.7 ttmt -44.17 -69.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -41.23 -46.4 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' ASP . 2.8 t60 -35.8 -47.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -90.97 -35.09 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -58.54 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.7 p80 -61.67 -54.18 46.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -51.14 -59.45 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.6 mt -53.83 -31.67 50.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.06 13.46 49.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -123.29 148.53 55.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.639 ' O ' HG22 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.78 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.236 . . . . 0.0 112.38 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -51.16 -19.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -53.51 -34.9 59.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 53' ' ' PRO . 17.1 m -93.61 -23.97 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.584 HD11 HG23 ' A' ' 87' ' ' ILE . 4.2 tp -91.93 133.18 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -132.87 170.91 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.31 134.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -118.88 126.05 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.874 ' HB3' HD11 ' A' ' 66' ' ' LEU . 44.7 t80 -136.66 142.67 43.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m 58.95 29.19 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 7.23 57.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -122.65 147.65 46.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mm -79.68 125.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.874 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.6 mt -93.94 173.38 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -118.27 -178.51 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -86.72 -48.05 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -69.97 -8.91 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.45 166.93 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 73' ' ' VAL . 3.3 m -135.77 147.41 48.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 39' ' ' LEU . 3.2 mm? -60.56 -42.68 97.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 35' ' ' VAL . 9.5 m -65.62 -30.51 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -72.42 -28.91 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.47 -34.76 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.87 54.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.709 HG13 ' OE2' ' A' ' 81' ' ' GLU . 60.6 t -128.17 131.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.496 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 26.1 mmtm -103.7 160.81 24.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.2 Cg_endo -69.72 145.59 57.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.383 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 66.51 51.95 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.709 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.3 pt-20 -133.33 166.19 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.7 mt -116.54 127.34 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 m -128.98 -178.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -145.94 114.93 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 19' ' ' LYS . 8.6 m -124.65 146.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -108.36 135.52 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.647 HD12 ' CG1' ' A' ' 20' ' ' VAL . 40.6 mt -107.74 143.22 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.0 p90 -164.66 168.24 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -114.77 143.47 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -72.59 -33.35 66.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.627 ' ND2' HD12 ' A' ' 94' ' ' LEU . 11.1 t-20 -124.25 81.29 58.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.27 37.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.0 -38.89 69.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.627 HD12 ' ND2' ' A' ' 91' ' ' ASN . 13.7 mt -91.84 -47.45 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.549 ' CD1' HG11 ' A' ' 56' ' ' VAL . 44.8 m-85 -128.22 80.69 71.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.709 0.766 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 150.55 68.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.25 136.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -117.61 -174.96 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.497 HD21 ' CD ' ' A' ' 34' ' ' LYS . 10.5 mt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.829 0.347 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.09 138.89 52.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -68.91 105.96 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -108.5 111.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -84.44 146.43 27.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.417 ' CG1' HD12 ' A' ' 87' ' ' ILE . 75.4 t -125.59 124.17 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.685 HG22 ' HG2' ' A' ' 28' ' ' GLU . 89.3 t -119.11 126.73 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 25' ' ' VAL . 38.0 mt -77.61 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.78 -58.41 3.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 111.169 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.8 -22.57 31.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.832 HG21 HD13 ' A' ' 22' ' ' LEU . 2.3 t -101.48 -58.39 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 102.77 -1.29 48.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.432 ' HB3' HD12 ' A' ' 22' ' ' LEU . 19.6 tt0 -76.01 147.3 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.685 ' HG2' HG22 ' A' ' 21' ' ' VAL . 23.6 mt-10 -103.33 140.21 37.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -136.49 137.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.0 t -117.1 128.58 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.418 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 5.1 tt -155.15 135.48 8.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.77 134.05 27.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 5.1 t80 -137.5 154.62 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' CD ' HD21 ' A' ' 15' ' ' LEU . 1.4 mppt? -87.62 131.55 34.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.6 m -73.79 -22.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -85.2 -26.78 26.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.8 m -82.63 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 pt -48.15 175.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.67 HD11 HD13 ' A' ' 66' ' ' LEU . 20.8 mt -82.21 -30.41 30.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.7 ttpm? -44.27 -58.09 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.7 m-85 -34.92 -59.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 16.8 tp -64.28 -41.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -47.27 -69.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -42.94 -48.22 5.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.588 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.09 -39.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -86.61 -47.44 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 p -47.98 -48.92 32.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.658 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.5 p-80 -65.88 -54.6 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.658 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -52.17 -62.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.84 -25.81 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.05 27.92 27.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -136.85 152.38 74.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 143.08 49.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -71.04 -7.59 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.5 t -61.22 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.594 HG21 ' HB2' ' A' ' 95' ' ' TYR . 16.2 m -84.15 -32.23 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 87' ' ' ILE . 6.7 tp -77.23 137.98 39.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' HD12 ' A' ' 57' ' ' LEU . 15.9 mm-40 -139.64 163.17 33.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.74 148.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -121.16 134.71 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -149.73 125.39 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p 53.15 43.21 31.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.97 19.3 58.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -118.58 158.99 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -102.56 90.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.67 HD13 HD11 ' A' ' 39' ' ' LEU . 62.7 mt -57.63 162.23 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -124.33 -175.95 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -80.39 -41.01 25.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.8 -13.68 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.38 148.95 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 m -125.02 146.22 49.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -69.0 -33.4 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -63.31 -31.49 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -84.87 -32.51 23.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.59 55.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.832 HG13 ' OE2' ' A' ' 81' ' ' GLU . 76.5 t -125.58 125.21 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.0 157.06 37.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 153.13 69.43 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.76 37.53 9.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.832 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.3 pt-20 -121.74 163.85 18.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -112.68 123.01 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 m -122.24 176.24 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -145.18 114.07 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.45 162.55 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -122.32 133.98 54.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.612 HG23 HD11 ' A' ' 57' ' ' LEU . 36.1 mt -107.08 144.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.7 p90 -162.35 174.49 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 t -119.34 128.46 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -53.84 -40.97 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -127.11 86.29 59.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.84 33.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -73.17 -28.63 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.59 -51.71 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.594 ' HB2' HG21 ' A' ' 56' ' ' VAL . 28.9 m-85 -125.0 78.66 66.02 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.707 0.765 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.26 63.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.599 HG11 HD22 ' A' ' 22' ' ' LEU . 97.4 t -92.37 151.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -134.5 166.69 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.434 HD13 ' HB2' ' A' ' 32' ' ' PRO . 95.9 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.855 0.359 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -114.12 128.4 56.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -60.54 101.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 16' ' ' ALA . 93.0 t -107.92 111.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.583 ' O ' HG22 ' A' ' 85' ' ' VAL . 38.6 mtmt -85.33 128.69 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.402 HG11 HD12 ' A' ' 87' ' ' ILE . 36.1 t -110.92 129.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -122.95 130.51 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' A' ' 27' ' ' GLN . 37.9 mt -78.92 125.23 29.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -71.37 -58.26 3.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.525 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -17.23 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.362 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.614 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -108.47 -58.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 105.47 -3.85 40.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.745 ' HB3' HD12 ' A' ' 22' ' ' LEU . 27.3 tt0 -73.49 146.54 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.723 0.297 . . . . 0.0 110.953 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 29' ' ' ILE . 3.1 tp10 -109.06 144.53 36.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 43.8 mt -141.22 132.34 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.83 122.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 2.6 tt -147.58 136.98 11.87 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 15.5 t80 -129.94 149.92 51.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -80.48 144.39 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 36' ' ' ASP . 26.2 m -86.06 -11.79 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' OD1' HG23 ' A' ' 35' ' ' VAL . 5.8 m-20 -102.26 -24.66 13.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ILE . 41.9 m -81.54 108.68 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.595 HD13 ' N ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -34.78 152.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.569 HD12 ' CD ' ' A' ' 70' ' ' GLU . 6.9 mt -66.06 -18.25 65.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -41.86 -41.49 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.593 ' HE1' HD11 ' A' ' 38' ' ' ILE . 51.3 m-85 -65.74 -55.89 14.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 16.5 tp -57.42 -16.47 9.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -82.8 -59.45 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -41.1 62.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.6 t60 -47.74 -57.19 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -71.72 -41.83 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -50.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.662 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.0 p-80 -53.51 -54.87 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.662 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.7 tm? -47.45 -61.03 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.28 -23.29 35.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.67 10.84 66.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 pt -117.21 152.21 48.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.54 65.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -71.37 -17.21 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -53.44 -55.84 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.609 HG21 ' HB2' ' A' ' 95' ' ' TYR . 28.8 m -74.09 -41.65 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 87' ' ' ILE . 6.0 tp -69.32 132.95 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -134.32 177.89 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -131.99 148.22 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -130.43 128.42 41.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.63 ' HB3' HD11 ' A' ' 66' ' ' LEU . 56.4 t80 -146.09 139.91 26.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t 56.15 27.49 11.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.5 69.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -127.45 136.68 52.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -69.03 105.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 61' ' ' TYR . 42.9 mt -66.75 -177.93 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -130.91 -175.35 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.83 -33.94 8.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 1.9 t30 -91.08 -2.09 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.569 ' CD ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -79.81 -175.02 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -146.4 142.9 28.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' H ' HD22 ' A' ' 72' ' ' LEU . 3.0 mm? -57.26 -45.45 84.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 35' ' ' VAL . 16.9 m -56.98 -31.74 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.13 -22.35 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -93.49 -27.21 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.42 63.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.891 HG13 ' OE2' ' A' ' 81' ' ' GLU . 87.1 t -134.88 132.22 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -99.84 156.54 35.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 149.98 67.7 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.65 2.234 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 63.23 37.95 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.891 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.2 pt-20 -118.4 165.74 13.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.487 ' CG2' ' HE2' ' A' ' 19' ' ' LYS . 60.9 mt -111.19 130.25 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -137.59 176.83 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -133.16 124.73 28.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 19' ' ' LYS . 18.5 m -130.78 149.91 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -116.36 139.48 50.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.48 HG23 HD11 ' A' ' 57' ' ' LEU . 19.1 mt -115.46 142.72 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.1 p90 -166.6 171.77 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.54 45.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.6 p -68.38 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.48 ' ND2' HD12 ' A' ' 94' ' ' LEU . 5.7 t30 -131.36 86.49 50.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.54 28.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.311 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.33 -35.89 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.48 HD12 ' ND2' ' A' ' 91' ' ' ASN . 44.1 mt -93.57 -51.1 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.609 ' HB2' HG21 ' A' ' 56' ' ' VAL . 41.9 m-85 -127.9 82.65 67.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.714 0.769 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.34 66.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.414 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 58.9 t -95.73 143.19 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -133.44 165.91 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.902 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 32' ' ' PRO . 13.1 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.861 0.362 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -73.41 90.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.85 107.6 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 85' ' ' VAL . 30.0 mtmm -82.65 146.89 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.58 147.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.66 131.39 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.745 HD13 HG21 ' A' ' 25' ' ' VAL . 77.1 mt -86.32 123.07 31.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.43 -58.11 4.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 0.0 111.113 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.71 -18.23 37.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.745 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -107.43 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 104.76 -3.15 41.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.541 ' HB3' HD12 ' A' ' 22' ' ' LEU . 13.9 tt0 -73.1 153.87 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -112.34 130.98 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -130.75 131.89 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 19' ' ' LYS . 74.7 t -112.0 128.33 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tt -149.45 133.48 8.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.415 ' HB2' HD22 ' A' ' 15' ' ' LEU . 53.5 Cg_endo -69.76 116.66 4.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.5 t80 -116.54 153.73 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -81.83 132.14 35.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.33 -25.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.21 33.43 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.2 m -137.69 131.65 31.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 pt -46.79 145.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 67' ' ' LYS . 8.5 mt -61.27 -13.99 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -49.66 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -42.83 -59.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.14 -34.27 77.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -54.97 -73.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -44.81 -35.0 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -52.44 -55.95 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -72.84 -37.72 67.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -53.2 -66.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.8 p-80 -53.4 -55.01 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.0 -25.11 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.2 3.59 61.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 20.9 pt -117.39 151.73 48.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.723 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.354 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -87.93 -11.83 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.4 t -64.16 -16.95 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 95' ' ' TYR . 19.5 m -114.87 -20.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.726 HD11 HG23 ' A' ' 87' ' ' ILE . 10.8 tp -90.33 147.07 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -146.2 174.93 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mt -134.23 132.43 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -109.81 126.38 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 66' ' ' LEU . 72.9 t80 -140.15 125.41 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m 62.98 26.07 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.814 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.48 -7.56 61.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -113.8 142.05 46.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mm -77.87 143.59 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 61' ' ' TYR . 2.6 mt -116.04 140.48 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.583 ' O ' HD12 ' A' ' 39' ' ' LEU . 25.1 pttt -103.59 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 68' ' ' ASN . 7.1 p-10 -64.5 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -40.87 -28.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -78.8 142.12 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -114.88 158.33 22.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.3 mm? -58.36 -45.67 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.09 -22.76 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.76 -21.01 52.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -96.71 -14.4 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.84 56.77 0.55 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.004 HG13 ' OE2' ' A' ' 81' ' ' GLU . 87.8 t -129.62 132.44 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.496 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 27.1 mmtt -106.27 160.8 24.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.0 Cg_endo -69.75 150.52 68.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 61.62 41.55 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 1.004 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.8 pt-20 -124.35 160.36 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.5 mt -109.35 131.25 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.12 178.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -140.75 121.33 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' LYS . 35.3 m -129.52 151.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.415 ' OE1' HD11 ' A' ' 23' ' ' ILE . 24.5 mt-10 -113.91 145.02 42.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.726 HG23 HD11 ' A' ' 57' ' ' LEU . 51.8 mt -121.92 142.65 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 6.1 p90 -166.67 159.9 14.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -108.34 139.44 43.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.3 p -70.09 -36.26 74.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.518 HD22 HD12 ' A' ' 94' ' ' LEU . 3.4 m120 -113.36 80.84 4.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -20.19 34.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.15 -33.7 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 91' ' ' ASN . 22.2 mt -94.74 -44.56 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.549 ' CD1' HG11 ' A' ' 56' ' ' VAL . 19.5 m-85 -132.3 80.96 62.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.683 0.754 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.4 57.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.344 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 95.0 t -98.99 145.46 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -126.13 163.06 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.403 ' HB3' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.2 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.06 133.04 53.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.1 m -65.96 108.81 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.556 ' HA ' HG22 ' A' ' 83' ' ' VAL . 80.6 t -110.08 101.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -76.7 127.48 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.553 HG22 ' CG2' ' A' ' 85' ' ' VAL . 85.6 t -115.57 145.8 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.634 HG22 ' HG2' ' A' ' 28' ' ' GLU . 94.6 t -135.35 126.13 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.851 HD13 HG21 ' A' ' 25' ' ' VAL . 32.8 mt -75.63 128.14 34.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -70.63 -58.6 4.42 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.183 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.515 ' N ' HG22 ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.8 -37.48 9.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.627 2.218 . . . . 0.0 112.372 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.851 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -81.94 -40.17 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.37 4.25 88.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.466 ' NE2' ' HD3' ' A' ' 99' ' ' ARG . 5.0 tt0 -90.4 142.65 27.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.634 ' HG2' HG22 ' A' ' 21' ' ' VAL . 6.0 tm-20 -90.53 150.62 21.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -145.36 126.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.53 120.19 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 tt -146.16 132.05 9.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 14.7 t80 -122.18 158.77 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -89.81 128.8 36.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.2 -28.82 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.87 14.45 7.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.4 m -124.08 134.91 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 pt -48.47 152.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 72' ' ' LEU . 21.4 mt -66.62 -27.97 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -42.09 -61.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' LYS . 13.4 m-85 -36.08 -60.26 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.7 tp -55.72 -40.74 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LYS . 26.0 ttmt -60.17 -45.84 91.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -59.02 -54.57 45.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 4.9 t60 -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -88.79 -43.74 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 p -48.71 -47.75 40.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.1 p-80 -67.2 -54.85 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.656 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -50.83 -61.23 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.32 -22.21 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.81 -16.42 58.34 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.5 pt -89.98 149.86 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.34 38.66 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -78.19 -18.75 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -53.06 -54.42 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 57' ' ' LEU . 27.3 m -75.85 -43.09 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.627 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.3 tp -65.44 134.57 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.496 ' N ' HD12 ' A' ' 57' ' ' LEU . 15.3 mm-40 -136.27 169.94 16.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.61 137.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -118.36 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.472 ' CB ' HD11 ' A' ' 66' ' ' LEU . 57.8 t80 -133.38 135.62 44.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t 54.99 28.52 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.59 13.73 83.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -118.57 171.53 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.2 mm -109.87 102.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 61' ' ' TYR . 20.3 mt -73.09 168.65 18.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.59 175.33 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.54 -58.16 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.53 -34.01 56.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.31 174.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -150.72 150.76 31.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 39' ' ' LEU . 3.7 mm? -60.4 -47.0 87.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.7 -18.5 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -83.79 -19.01 35.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -97.49 -14.43 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.71 54.34 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.841 HG13 ' OE2' ' A' ' 81' ' ' GLU . 76.0 t -124.79 131.99 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -100.06 156.62 35.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.43 60.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.356 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 66.77 38.73 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.841 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.7 pt-20 -120.39 171.41 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.11 133.1 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 18' ' ' VAL . 18.1 m -137.26 178.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -141.13 117.47 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.553 ' CG2' HG22 ' A' ' 20' ' ' VAL . 30.8 m -122.88 170.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -133.43 146.0 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.627 HG23 ' CD1' ' A' ' 57' ' ' LEU . 42.7 mt -124.02 134.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.9 p90 -161.47 154.98 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -103.63 132.83 49.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.8 p -65.2 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -109.38 79.42 1.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.73 34.33 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.91 -34.56 57.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.7 mt -92.29 -45.78 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -129.97 78.7 74.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.81 41.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.429 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 5.2 t -83.15 134.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -119.55 165.39 14.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.556 ' HG2' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.46 147.59 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -79.65 110.36 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 83' ' ' VAL . 53.6 t -111.3 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 85' ' ' VAL . 50.8 mtmt -71.68 137.61 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 87' ' ' ILE . 87.0 t -115.8 137.23 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.0 t -131.96 126.74 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 25' ' ' VAL . 51.8 mt -79.87 127.04 31.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -70.86 -58.79 4.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.717 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.72 -34.44 14.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.64 2.227 . . . . 0.0 112.387 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.749 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -86.06 -54.7 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.01 10.7 60.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.418 ' HB3' HD12 ' A' ' 22' ' ' LEU . 6.1 tt0 -88.38 143.37 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -92.35 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mt -143.36 132.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -111.38 129.55 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 8.1 tt -150.85 136.06 10.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.647 0.737 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.73 152.53 69.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 2.8 t80 -157.89 152.21 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 124.14 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.16 -17.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -12.79 26.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -94.5 130.05 41.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.4 pt -48.02 165.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 67' ' ' LYS . 9.4 mt -76.1 -32.38 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.6 tmtp? -39.39 -59.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.2 m-85 -35.96 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.6 tp -55.32 -42.98 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -61.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.37 -44.35 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.529 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.63 -61.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -69.79 -54.8 11.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.401 ' OG ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.28 -67.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.699 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.3 p-80 -45.97 -55.0 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.699 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 2.3 tm? -49.2 -62.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.16 -25.66 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.83 -13.33 62.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 13.2 pt -87.79 148.11 42.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 155.26 66.31 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -5.19 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 p -68.18 -59.28 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.532 HG11 HD21 ' A' ' 91' ' ' ASN . 4.0 m -67.99 -28.57 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD11 HG23 ' A' ' 87' ' ' ILE . 6.2 tp -82.04 144.21 31.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' H ' HD12 ' A' ' 57' ' ' LEU . 11.0 mt-30 -145.18 175.45 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.13 131.7 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -113.42 125.37 54.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.754 ' HB3' HD11 ' A' ' 66' ' ' LEU . 80.1 t80 -140.68 130.3 24.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t 63.4 26.86 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.4 76.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 146.38 44.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.54 126.07 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 61' ' ' TYR . 17.3 mt -91.31 130.69 37.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 39' ' ' LEU . 20.0 tptm -78.91 159.01 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -67.47 -38.18 84.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -80.39 -4.08 52.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 3.7 mm-40 -84.43 134.5 34.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -99.03 150.09 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.5 mm? -56.08 -57.47 12.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.04 -46.49 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.9 -37.08 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -79.78 -18.75 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.83 63.75 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.783 HG13 ' OE2' ' A' ' 81' ' ' GLU . 79.1 t -131.84 124.2 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 111.079 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -91.56 158.05 41.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 151.86 69.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.298 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 60.18 43.06 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.783 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.3 pt-20 -122.81 166.82 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -113.29 126.84 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 18' ' ' VAL . 18.5 m -130.45 -175.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -150.18 118.83 6.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 19' ' ' LYS . 33.7 m -120.79 168.16 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -129.08 133.67 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.566 HG23 HD11 ' A' ' 57' ' ' LEU . 62.4 mt -112.79 128.84 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 10.3 p90 -150.82 163.08 39.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -108.7 136.76 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.437 ' CG2' ' OE1' ' A' ' 58' ' ' GLN . 69.3 p -64.32 -37.73 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.617 HD22 HD12 ' A' ' 94' ' ' LEU . 52.8 p-10 -122.83 87.01 50.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.68 31.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.81 -28.6 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.617 HD12 HD22 ' A' ' 91' ' ' ASN . 37.8 mt -98.42 -49.1 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.472 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 26.8 m-85 -131.83 82.42 60.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.717 0.77 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 151.33 68.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 24.3 t -93.39 114.74 30.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -98.89 167.38 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.517 HD23 ' C ' ' A' ' 33' ' ' PHE . 12.9 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.534 ' HB2' ' HA ' ' A' ' 79' ' ' PRO . . . -107.49 140.16 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m -69.18 112.12 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.04 100.61 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -79.4 122.39 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.532 HG11 HD12 ' A' ' 87' ' ' ILE . 97.9 t -103.83 136.37 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.9 t -125.97 128.08 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.836 HD13 HG21 ' A' ' 25' ' ' VAL . 26.4 mt -77.06 127.26 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -71.99 -58.36 3.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.526 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.8 -27.67 26.0 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.73 2.287 . . . . 0.0 112.29 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.836 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -94.79 -53.59 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.06 62.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.406 ' HB3' HD12 ' A' ' 22' ' ' LEU . 17.7 tt0 -75.47 151.91 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -105.15 136.27 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mt -133.3 126.86 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.64 120.48 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.5 tt -141.81 136.89 15.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.76 122.87 9.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.333 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 3.2 t80 -131.46 154.21 48.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.38 150.49 20.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 73' ' ' VAL . 24.2 m -89.06 -14.54 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -31.92 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 m -83.26 139.11 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.472 ' HA ' HG23 ' A' ' 71' ' ' THR . 7.9 pt -53.14 176.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.55 ' CD2' HD21 ' A' ' 72' ' ' LEU . 17.2 mt -86.22 -13.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' TYR . 31.0 ttpt -63.08 -54.91 30.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.4 m-85 -36.03 -53.48 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 18.8 tp -65.09 -40.89 95.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' LYS . 16.9 ttmt -50.35 -48.59 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -55.7 -45.5 77.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.596 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.4 t60 -44.72 -36.33 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 40.1 m-85 -90.71 -54.52 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' PHE . 23.1 p -37.13 -41.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.3 p-80 -77.15 -54.73 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -53.37 -62.59 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.53 -24.0 18.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.34 34.13 30.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 41.0 pt -138.68 150.88 67.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.91 22.28 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.28 . . . . 0.0 112.36 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -56.52 -13.47 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.3 p -57.42 -57.77 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m -72.06 -29.5 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.719 HD11 HG23 ' A' ' 87' ' ' ILE . 9.3 tp -79.37 135.44 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -138.49 163.77 31.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.2 mt -121.67 134.12 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -112.96 128.92 56.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -129.73 128.54 42.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t 58.3 24.96 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.61 -12.49 65.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -93.2 164.37 13.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.8 mm -103.65 107.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 66' ' ' LEU . 4.8 mt -76.14 176.07 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -129.72 167.32 18.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -26.87 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -84.78 -25.63 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.16 128.81 37.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 38' ' ' ILE . 1.1 m -103.63 150.47 23.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.55 HD21 ' CD2' ' A' ' 39' ' ' LEU . 4.3 mm? -54.2 -47.55 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 35' ' ' VAL . 2.6 m -66.77 -28.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -65.82 -27.37 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -92.91 -18.31 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.64 56.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.69 HG13 ' OE2' ' A' ' 81' ' ' GLU . 89.6 t -124.11 121.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.49 156.74 38.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.534 ' HA ' ' HB2' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.8 158.41 57.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.299 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 63.77 27.19 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.69 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.4 pt-20 -115.01 168.99 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.8 mt -120.26 132.86 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.4 m -134.4 -179.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -141.88 117.24 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.6 m -123.5 157.61 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -121.36 140.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.719 HG23 HD11 ' A' ' 57' ' ' LEU . 37.0 mt -117.91 134.35 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.4 p90 -153.05 167.63 28.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -111.2 127.0 55.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.2 p -54.66 -41.29 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -124.87 86.33 56.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.76 33.56 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.96 -26.94 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.0 mt -102.55 -48.27 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.423 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 47.6 m-85 -131.92 80.87 64.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 158.41 57.13 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.7 118.34 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -105.74 149.46 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.438 ' HG3' HG11 ' A' ' 25' ' ' VAL . 18.7 ttp180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.832 0.349 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.75 137.12 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -70.53 104.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.65 109.23 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -79.97 127.81 32.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.414 ' CG1' HD12 ' A' ' 87' ' ' ILE . 59.4 t -111.34 131.21 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.413 HG22 ' HG2' ' A' ' 28' ' ' GLU . 43.3 t -128.79 130.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 25' ' ' VAL . 32.3 mt -80.6 128.2 33.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -70.83 -58.48 4.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -34.88 13.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.738 2.292 . . . . 0.0 112.294 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.749 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -85.72 -45.19 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.19 0.57 86.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' A' ' 22' ' ' LEU . 14.3 tt0 -77.64 151.6 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HG2' HG22 ' A' ' 21' ' ' VAL . 26.9 mt-10 -105.03 144.56 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.3 mt -142.11 147.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.2 t -124.46 125.14 69.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 tt -153.99 130.12 5.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.8 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.623 2.215 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 16.4 t80 -133.97 149.62 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -78.9 139.2 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 73' ' ' VAL . 15.2 m -87.6 -5.76 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -111.27 5.85 20.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -113.13 128.93 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 40' ' ' LYS . 36.8 pt -41.44 156.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 67' ' ' LYS . 16.2 mt -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' HB2' HD12 ' A' ' 38' ' ' ILE . 18.3 ttpt -43.87 -54.64 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -38.13 -66.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.573 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.7 tp -58.21 -37.26 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -54.74 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -55.96 -42.99 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.593 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.0 t60 -39.06 -45.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 28.1 m-85 -82.09 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.649 ' OG ' HD23 ' A' ' 57' ' ' LEU . 1.5 m -35.57 -61.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.687 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.4 p-80 -52.61 -54.46 32.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 1.7 tm? -51.33 -62.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -57.42 -16.97 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.57 -26.46 13.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.6 pt -77.02 150.92 81.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.608 0.718 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.4 Cg_endo -69.73 155.56 65.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -77.61 -16.82 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -52.62 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.1 m -70.0 -45.11 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.649 HD23 ' OG ' ' A' ' 47' ' ' SER . 4.9 tp -64.93 139.54 58.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -142.0 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.65 137.75 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -117.28 136.35 53.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.604 ' HB3' HD11 ' A' ' 66' ' ' LEU . 74.9 t80 -154.39 135.4 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m 59.57 26.04 15.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.05 11.62 70.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.07 149.6 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 mm -85.77 121.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.9 mt -90.26 165.77 13.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.591 ' O ' HD12 ' A' ' 39' ' ' LEU . 34.1 mttm -117.81 173.63 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -70.06 -68.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -49.49 -18.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -74.96 132.32 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -102.33 166.05 10.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.42 ' H ' HG22 ' A' ' 71' ' ' THR . 3.9 mm? -69.12 -45.44 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 35' ' ' VAL . 8.8 m -58.17 -23.91 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -74.4 -34.68 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.82 -9.84 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 61.4 0.77 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.756 HG13 ' OE2' ' A' ' 81' ' ' GLU . 73.4 t -129.78 129.11 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -97.38 158.25 33.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.04 66.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 61.52 43.28 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.756 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.26 161.34 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.61 129.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 -178.7 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -140.47 121.31 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.3 m -127.75 156.29 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -118.42 149.86 40.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' A' ' 57' ' ' LEU . 43.8 mt -124.83 140.89 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -164.07 157.45 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -101.28 130.13 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 56' ' ' VAL . 43.6 p -56.26 -37.29 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.76 HD22 HD12 ' A' ' 94' ' ' LEU . 52.1 p-10 -126.52 90.6 49.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 54.2 Cg_endo -69.72 -25.07 29.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.39 -29.4 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.76 HD12 HD22 ' A' ' 91' ' ' ASN . 36.6 mt -96.84 -48.46 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 33.1 m-85 -132.22 81.71 60.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.698 0.761 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.18 64.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.4 133.53 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -117.34 178.41 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.865 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB1' ' HG2' ' A' ' 81' ' ' GLU . . . -114.5 143.03 45.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 m -77.14 110.72 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -110.27 110.59 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 85' ' ' VAL . 2.4 mtpm? -82.01 128.49 34.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.24 133.22 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -126.73 126.17 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.864 HD13 HG21 ' A' ' 25' ' ' VAL . 28.9 mt -74.41 126.93 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -70.55 -58.2 4.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 111.185 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.77 -37.58 8.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.864 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -81.77 -53.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.98 6.07 59.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.488 ' HB3' HD12 ' A' ' 22' ' ' LEU . 12.2 tt0 -84.37 161.86 20.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 14.5 mt-10 -115.35 141.85 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mt -142.9 128.89 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.0 121.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 tt -144.06 132.58 11.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.48 40.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.1 t80 -142.45 134.71 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.72 140.2 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.08 -37.25 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.45 33.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.2 m -135.79 143.73 45.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.2 pt -56.36 172.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.9 mt -88.42 -33.53 17.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -36.03 -58.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.7 m-85 -36.48 -56.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.26 -35.21 79.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' LYS . 13.7 ttmt -59.33 -61.33 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.7 m-20 -51.8 -47.54 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 44' ' ' ASP . 4.0 t60 -34.73 -43.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 33.0 m-85 -91.12 -54.12 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' PHE . 32.5 t -36.5 -52.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.668 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.6 p80 -67.49 -54.9 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.668 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -48.18 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -53.22 -23.12 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 18.13 60.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.3 pt -121.56 152.56 58.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.84 58.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -76.7 -13.86 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.6 p -57.5 -21.13 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.9 m -110.55 -31.46 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.494 HD11 HG23 ' A' ' 87' ' ' ILE . 5.9 tp -77.34 133.57 38.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -141.56 170.06 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.3 mt -120.93 148.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.869 HH21 HD11 ' A' ' 65' ' ' ILE . 14.6 ttm180 -124.52 125.21 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -140.83 136.23 32.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 t 56.09 25.18 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.89 8.78 78.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 153.99 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.726 0.298 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.869 HD11 HH21 ' A' ' 60' ' ' ARG . 48.1 mm -90.95 116.12 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.91 165.62 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 48.8 mttt -124.87 127.99 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.9 p-10 -38.32 -65.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.9 -29.42 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 9.0 tt0 -62.91 172.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.17 155.39 50.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -66.49 -37.83 85.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 m -65.61 -24.11 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -76.89 -25.17 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' CD ' ' A' ' 70' ' ' GLU . 85.1 m-70 -88.82 -31.84 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.37 57.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.841 HG13 ' OE2' ' A' ' 81' ' ' GLU . 35.4 t -124.14 139.87 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.168 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -109.49 157.02 38.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.47 47.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 65.66 47.32 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.841 ' OE2' HG13 ' A' ' 77' ' ' VAL . 9.4 pt-20 -122.83 178.2 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.3 mt -127.54 129.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.77 178.89 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -138.32 121.86 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 19' ' ' LYS . 35.0 m -128.37 167.02 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -133.91 129.27 36.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 57' ' ' LEU . 16.1 mt -101.01 145.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -166.75 171.71 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.8 t -113.59 138.65 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.6 p -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.765 HD22 HD12 ' A' ' 94' ' ' LEU . 16.1 t30 -126.46 82.73 65.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.34 -29.25 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.765 HD12 HD22 ' A' ' 91' ' ' ASN . 26.4 mt -98.21 -50.78 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -133.59 78.7 61.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.689 0.757 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 149.1 66.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.71 133.66 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -130.79 147.39 52.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HG2' HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.769 0.318 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.03 136.79 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 112.23 4.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -113.6 111.54 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 85' ' ' VAL . 51.0 mtmt -88.3 130.43 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.56 HG11 HD12 ' A' ' 87' ' ' ILE . 85.8 t -108.03 137.35 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -128.82 127.16 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.876 HD13 HG21 ' A' ' 25' ' ' VAL . 24.4 mt -81.46 128.11 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -72.21 -58.29 3.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.145 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.5 Cg_endo -69.71 -18.18 37.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.374 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.876 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -106.4 -56.57 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 95.97 1.27 61.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -78.06 139.87 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.18 135.83 34.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.77 134.12 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.08 127.55 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -148.06 128.37 6.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 125.24 11.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.3 t80 -138.59 147.52 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -77.57 165.13 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 73' ' ' VAL . 30.5 m -101.18 -15.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -108.66 30.49 6.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.1 m -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.8 pp -52.43 164.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' LEU . 12.1 mt -88.84 -28.07 20.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HB3' HD13 ' A' ' 38' ' ' ILE . 23.6 ttpt -36.35 -34.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.742 ' CD2' HD11 ' A' ' 38' ' ' ILE . 30.0 m-85 -68.59 -45.26 72.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 18.6 tp -73.0 -21.3 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -80.94 -48.22 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -58.82 -25.7 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.427 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.9 t60 -68.41 -48.94 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -73.85 -38.38 64.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -55.2 -64.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -50.53 -54.79 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.654 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -51.52 -61.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.92 -29.71 56.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.1 54.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 32.8 pt -93.98 152.09 40.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.758 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 153.81 68.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -75.62 -22.65 56.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 t -44.66 -47.36 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.3 m -84.35 -42.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.645 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.0 tp -66.38 133.08 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -135.07 175.74 9.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.7 mt -130.56 127.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.8 123.55 50.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CB ' HD11 ' A' ' 66' ' ' LEU . 44.8 t80 -129.32 126.64 39.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 t 55.28 33.6 21.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.87 -3.22 76.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -95.16 167.24 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.47 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 75' ' ' HIS . 19.0 mt -62.94 134.13 55.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 39' ' ' LEU . 52.8 mttp -101.89 177.68 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -73.87 -52.1 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -68.95 -8.64 46.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 67' ' ' LYS . 20.5 mm-40 -76.07 170.52 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.24 146.87 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 72' ' ' LEU . 3.1 mm? -57.6 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.6 m -49.97 -38.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -62.41 -31.26 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 66' ' ' LEU . 21.7 m-70 -85.6 -16.1 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.23 62.61 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.023 HG13 ' OE2' ' A' ' 81' ' ' GLU . 55.8 t -132.33 130.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -98.73 158.51 32.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 147.36 62.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.697 2.265 . . . . 0.0 112.383 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 62.01 39.63 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 1.023 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.51 160.21 26.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.26 138.43 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.49 -177.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -145.45 114.62 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 19' ' ' LYS . 19.8 m -118.5 166.55 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -128.71 142.65 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.645 HG23 ' CD1' ' A' ' 57' ' ' LEU . 35.1 mt -119.2 132.41 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.4 p90 -155.92 163.49 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -110.53 123.56 50.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.2 p -56.79 -34.91 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -114.85 79.43 5.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.47 36.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -77.94 -34.51 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.26 -46.96 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 39.5 m-85 -132.78 78.08 67.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.52 66.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.482 HG11 HD22 ' A' ' 22' ' ' LEU . 49.6 t -83.2 155.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.454 ' N ' HG12 ' A' ' 97' ' ' VAL . 10.1 ptp180 -145.15 145.31 31.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 15' ' ' LEU . 14.3 mt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.34 129.99 54.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -68.36 106.54 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.53 108.37 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -80.08 130.32 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -106.59 141.38 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -135.23 128.12 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.926 HD13 HG21 ' A' ' 25' ' ' VAL . 28.8 mt -82.83 130.36 35.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -70.9 -58.51 4.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.521 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.84 -36.49 10.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.295 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.926 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -83.45 -44.71 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 1.13 90.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -76.11 169.13 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -121.03 134.0 55.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -135.04 129.11 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -106.3 127.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.511 HD13 HD11 ' A' ' 42' ' ' LEU . 4.8 tt -150.79 131.53 7.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 144.0 52.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 4.0 t80 -146.22 149.57 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 117.51 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 73' ' ' VAL . 35.5 m -53.99 -25.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.43 -40.09 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -65.08 125.96 26.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.7 pt -46.58 173.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 66' ' ' LEU . 14.2 mt -79.5 -33.19 42.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HZ1' ' CE1' ' A' ' 54' ' ' HIS . 16.4 tptp -43.88 -57.82 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.2 m-85 -36.1 -55.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 15.9 tp -65.96 -39.34 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -47.18 -52.89 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.19 -41.64 84.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -42.63 -38.64 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 21.6 m-85 -92.75 -55.03 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 8.8 p -34.31 -60.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.5 p80 -56.63 -54.25 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.641 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.19 -60.73 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.593 HD13 HG13 ' A' ' 97' ' ' VAL . 72.4 mt -59.16 -31.05 68.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.51 38.97 7.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 pt -140.99 153.05 66.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.719 ' O ' HG22 ' A' ' 56' ' ' VAL . 53.4 Cg_endo -69.73 106.43 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.625 2.216 . . . . 0.0 112.343 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.45 ' CE1' ' HZ1' ' A' ' 40' ' ' LYS . 19.2 p80 -36.62 -32.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' PRO . 78.4 p -41.1 -44.92 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 53' ' ' PRO . 13.0 m -76.92 -32.6 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.874 HD11 HG23 ' A' ' 87' ' ' ILE . 6.1 tp -77.59 155.31 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.431 ' H ' HD12 ' A' ' 57' ' ' LEU . 13.8 mm100 -147.46 177.64 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.47 133.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -115.08 125.97 54.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.455 ' CD2' ' HE3' ' A' ' 64' ' ' LYS . 18.1 t80 -128.24 126.75 41.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t 50.04 25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.5 24.48 53.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' CD2' ' A' ' 61' ' ' TYR . 4.5 ptpt -124.37 154.48 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.298 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.21 114.86 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.441 HD13 HD11 ' A' ' 39' ' ' LEU . 49.7 mt -89.09 158.91 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -116.13 164.0 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.4 p-10 -56.59 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.78 -27.48 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -49.64 158.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.427 ' CG2' HG22 ' A' ' 73' ' ' VAL . 2.2 m -137.62 143.65 41.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.7 mm? -55.55 -40.49 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 35' ' ' VAL . 23.8 m -67.67 -34.77 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.86 -34.88 73.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -82.95 -25.22 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.72 55.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.835 HG13 ' OE2' ' A' ' 81' ' ' GLU . 69.5 t -119.11 131.95 70.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.158 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 154.72 36.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.709 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.02 67.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 64.74 35.05 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.835 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.8 pt-20 -114.47 173.02 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.82 132.26 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 m -137.82 -179.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -146.82 113.21 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.18 161.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.72 141.43 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.874 HG23 HD11 ' A' ' 57' ' ' LEU . 20.1 mt -117.71 138.81 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.792 ' O ' HD12 ' A' ' 57' ' ' LEU . 36.3 p90 -161.42 177.1 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 7.8 t -116.86 136.05 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -66.29 -37.85 86.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.838 ' ND2' HD12 ' A' ' 94' ' ' LEU . 26.3 t30 -125.61 83.01 62.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.03 37.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.28 -18.99 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.838 HD12 ' ND2' ' A' ' 91' ' ' ASN . 20.5 mt -112.93 -43.64 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CD1' HG11 ' A' ' 56' ' ' VAL . 27.2 m-85 -134.53 82.42 45.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.712 0.767 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.71 48.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.593 HG13 HD13 ' A' ' 50' ' ' LEU . 11.0 t -107.01 142.52 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.431 ' H ' HD22 ' A' ' 50' ' ' LEU . 48.3 mtp180 -129.85 159.06 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.738 ' HB3' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.849 0.357 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.94 149.7 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.059 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.1 m -73.17 98.62 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.558 ' HA ' HG22 ' A' ' 83' ' ' VAL . 66.4 t -105.85 109.34 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -77.96 131.33 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.532 ' CG1' HD12 ' A' ' 87' ' ' ILE . 76.3 t -119.01 118.96 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.665 HG22 ' HG3' ' A' ' 28' ' ' GLU . 84.0 t -115.64 129.64 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.752 HD13 HG21 ' A' ' 25' ' ' VAL . 26.5 mt -78.88 126.71 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.7 mm -69.62 -57.97 6.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.72 -36.39 10.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.752 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -84.58 -47.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.84 -6.11 81.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.88 142.74 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.665 ' HG3' HG22 ' A' ' 21' ' ' VAL . 2.2 tt0 -93.25 153.13 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.426 HG13 ' C ' ' A' ' 28' ' ' GLU . 26.8 mt -146.57 126.79 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -106.48 119.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' ILE . 16.5 tt -147.08 130.76 8.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.4 4.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.6 t80 -113.29 144.66 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -76.68 125.13 28.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.89 -34.98 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.75 -31.77 68.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 41' ' ' TYR . 3.7 m -75.43 132.25 40.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 pt -47.1 173.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 66' ' ' LEU . 15.0 mt -75.96 -29.06 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' LYS . 15.3 tttt -48.87 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.451 ' HB2' ' CG2' ' A' ' 37' ' ' THR . 7.1 m-85 -35.17 -42.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 34.3 tp -64.5 -47.43 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' ILE . 5.5 ptpt -71.89 -20.88 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.41 -26.93 56.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.501 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.7 t60 -71.31 -28.96 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -93.71 -30.96 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.2 p -60.14 -30.59 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.635 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 6.0 p-80 -85.17 -54.59 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 49' ' ' LEU . 1.3 tm? -51.08 -55.37 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.42 -33.44 75.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.44 -13.45 61.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.8 pt -89.21 150.03 44.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.3 Cg_endo -69.7 164.19 35.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -85.19 -13.1 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -57.78 -43.89 85.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.601 HG21 ' HB2' ' A' ' 95' ' ' TYR . 20.8 m -85.84 -32.33 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 87' ' ' ILE . 6.7 tp -78.5 151.17 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.423 ' H ' HD12 ' A' ' 57' ' ' LEU . 15.7 mm-40 -149.72 178.19 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 43' ' ' LYS . 73.7 mt -128.94 141.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -120.7 124.42 45.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.882 ' HB3' HD11 ' A' ' 66' ' ' LEU . 89.9 t80 -140.75 133.3 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t 54.54 29.08 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 13.44 60.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.52 130.74 53.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.85 120.42 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.882 HD11 ' HB3' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -96.06 155.0 16.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -111.62 165.72 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -59.98 -45.32 93.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -58.91 -28.95 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.39 139.08 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -120.0 148.24 43.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.6 mm? -49.69 -56.83 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.5 m -51.77 -39.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.11 -29.75 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -84.14 -16.02 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.06 50.84 0.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.682 HG13 ' OE2' ' A' ' 81' ' ' GLU . 85.1 t -121.87 122.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 156.12 39.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.57 67.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.355 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 67.96 26.93 7.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.682 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.2 pt-20 -115.98 166.23 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -110.22 137.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 18' ' ' VAL . 13.6 m -137.15 -176.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -146.56 117.42 7.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 m -128.22 147.13 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -112.36 138.57 48.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 57' ' ' LEU . 66.2 mt -116.28 145.35 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.2 p90 -166.53 159.11 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -102.91 133.12 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.3 p -60.14 -41.64 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -123.41 87.9 51.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.87 -32.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.8 mt -98.77 -48.68 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.601 ' HB2' HG21 ' A' ' 56' ' ' VAL . 32.1 m-85 -126.87 80.56 70.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 154.39 67.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 57.0 t -95.74 118.25 41.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.49 179.56 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.485 ' HB2' HG11 ' A' ' 25' ' ' VAL . 21.8 ttt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.819 0.343 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.15 132.54 54.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.2 m -65.26 97.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.521 ' HA ' HG22 ' A' ' 83' ' ' VAL . 80.6 t -100.39 109.61 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.623 ' O ' HG22 ' A' ' 85' ' ' VAL . 29.8 mtmm -78.96 143.16 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.9 t -126.34 124.23 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.525 HG22 ' HG2' ' A' ' 28' ' ' GLU . 64.6 t -119.7 126.79 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.648 HD13 HG21 ' A' ' 25' ' ' VAL . 27.1 mt -77.54 128.04 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.03 -58.8 3.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.3 Cg_endo -69.82 -35.27 12.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.648 HG21 HD13 ' A' ' 22' ' ' LEU . 2.6 t -85.13 -53.37 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.12 4.63 64.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HB3' HD12 ' A' ' 22' ' ' LEU . 25.6 tt0 -84.02 143.6 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.525 ' HG2' HG22 ' A' ' 21' ' ' VAL . 15.4 mt-10 -94.68 141.07 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.2 mt -139.41 142.12 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -123.44 130.53 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 42' ' ' LEU . 2.3 tt -152.5 132.35 7.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.27 13.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.285 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.4 t80 -127.07 164.33 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -100.25 131.04 46.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 73' ' ' VAL . 17.9 m -73.8 -20.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -98.61 21.67 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.8 m -131.03 128.93 41.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 pt -43.62 156.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.503 HD21 HD11 ' A' ' 72' ' ' LEU . 30.6 mt -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 13.8 tptt -41.34 -58.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -34.88 -61.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -59.05 -40.01 83.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.7 ttmt -55.94 -62.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.97 -30.31 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.475 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.1 t60 -59.85 -39.81 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -85.74 -34.01 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p -58.38 -37.19 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.7 p-80 -78.41 -54.84 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -54.12 -62.36 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.13 -37.87 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.3 -4.55 44.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 15.0 pt -100.95 147.54 33.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.745 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.31 50.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -82.99 9.48 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -87.5 -8.06 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.16 -24.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.52 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.3 tp -84.67 131.34 34.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -135.4 154.53 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.2 148.3 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -128.04 126.39 41.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.809 ' HB3' HD11 ' A' ' 66' ' ' LEU . 80.2 t80 -136.5 135.76 38.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.5 t 57.1 25.54 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.803 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.33 9.55 85.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 146.79 49.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.52 142.6 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.809 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.3 mt -117.84 155.32 30.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -99.01 160.14 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -71.2 -45.12 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -59.13 -25.48 63.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.58 -178.23 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 1.4 m -145.13 164.04 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.1 mm? -68.47 -35.81 78.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 35' ' ' VAL . 20.8 m -69.45 -16.3 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 71' ' ' THR . 49.3 mt-30 -83.91 -16.96 42.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -102.46 -12.3 17.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.67 59.48 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.413 HG13 ' OE2' ' A' ' 81' ' ' GLU . 72.9 t -128.2 120.7 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.943 0.402 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -90.83 157.57 43.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.64 63.67 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 64.21 47.61 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.413 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.6 pt-20 -130.77 163.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.1 mt -106.03 132.17 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 18' ' ' VAL . 12.6 m -135.47 166.63 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -130.86 114.79 15.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 19' ' ' LYS . 31.1 m -122.11 163.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -121.35 152.1 39.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.52 HG23 ' CD1' ' A' ' 57' ' ' LEU . 15.0 mt -131.09 139.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -163.0 169.48 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.0 t -114.06 122.33 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -46.6 -38.75 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -127.96 86.26 58.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -11.88 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.51 -31.05 63.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.64 -50.56 4.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 55.4 m-85 -128.45 80.99 71.51 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.7 38.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.61 ' CG1' HD22 ' A' ' 22' ' ' LEU . 45.1 t -76.0 121.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -99.68 165.19 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.411 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.7 ptt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.45 153.58 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -82.36 109.18 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.74 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.51 ' O ' HG22 ' A' ' 85' ' ' VAL . 92.1 mttt -78.65 123.34 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.786 ' CG1' HD12 ' A' ' 87' ' ' ILE . 78.9 t -101.24 126.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.444 HG22 ' HG2' ' A' ' 28' ' ' GLU . 54.2 t -115.88 134.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 25' ' ' VAL . 37.2 mt -88.72 127.43 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -72.05 -58.57 3.23 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.733 . . . . 0.0 111.159 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.82 -27.74 25.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.821 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -94.51 -54.25 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.89 63.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -76.97 155.72 32.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG2' HG22 ' A' ' 21' ' ' VAL . 35.2 mt-10 -111.83 133.42 54.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -133.96 126.51 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.2 t -99.89 116.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HD2' ' A' ' 32' ' ' PRO . 1.8 tp -129.32 133.46 25.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.447 ' HD2' HD12 ' A' ' 31' ' ' ILE . 53.3 Cg_endo -69.76 113.23 3.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -126.35 156.33 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -88.93 162.23 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.7 m -99.06 -31.18 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.95 25.8 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -130.15 138.33 50.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 pt -56.23 150.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.16 -21.07 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -49.3 -49.69 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -47.06 -56.33 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 20.7 tp -62.53 -33.03 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -57.82 -70.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -39.11 -36.48 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.45 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 3.7 t60 -51.08 -58.95 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -76.56 -35.93 57.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.539 ' H ' ' HG ' ' A' ' 47' ' ' SER . 0.7 OUTLIER -54.83 -49.15 71.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -68.3 -54.92 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.661 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -50.84 -59.93 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.51 -26.95 45.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.48 25.22 31.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 38.0 pt -130.61 150.66 76.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.658 0.742 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.73 36.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.56 -19.7 27.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -54.77 -59.08 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.598 HG21 ' HB2' ' A' ' 95' ' ' TYR . 18.2 m -69.3 -28.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.739 HD11 HG23 ' A' ' 87' ' ' ILE . 11.1 tp -81.72 142.72 32.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -143.6 171.68 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.1 mt -130.71 134.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -114.78 137.07 52.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CB ' HD11 ' A' ' 66' ' ' LEU . 65.2 t80 -144.67 125.09 13.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 64.33 26.05 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.26 -9.72 66.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -93.99 161.9 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.9 mm -102.14 99.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 75' ' ' HIS . 21.6 mt -69.11 163.46 24.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.457 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 24.0 mtpt -129.79 166.43 19.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.427 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.4 p-10 -59.89 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.427 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 4.3 t30 -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 67' ' ' LYS . 27.0 mt-10 -55.26 160.68 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.16 150.09 51.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.27 -55.91 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.98 -46.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.24 -31.05 13.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.653 ' CE1' HD22 ' A' ' 66' ' ' LEU . 97.0 m-70 -84.82 -28.74 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.03 57.91 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.819 HG13 ' OE2' ' A' ' 81' ' ' GLU . 96.7 t -121.98 121.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -86.17 155.7 57.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.5 48.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 62.36 39.97 11.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.819 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.6 pt-20 -118.33 163.94 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.7 mt -107.58 118.73 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.98 -175.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -142.1 122.29 13.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 19' ' ' LYS . 33.4 m -128.25 171.8 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -133.28 153.17 51.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.786 HD12 ' CG1' ' A' ' 20' ' ' VAL . 72.1 mt -129.79 137.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.5 p90 -163.29 167.55 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -114.72 142.25 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -67.25 -31.54 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.417 ' ND2' HD12 ' A' ' 94' ' ' LEU . 6.1 t30 -132.12 85.3 50.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -11.0 29.83 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.71 -31.46 61.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.417 HD12 ' ND2' ' A' ' 91' ' ' ASN . 45.5 mt -96.99 -51.83 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.598 ' HB2' HG21 ' A' ' 56' ' ' VAL . 39.4 m-85 -126.69 81.29 69.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.684 0.754 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 153.89 68.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.3 t -96.58 141.3 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -132.27 169.56 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.464 ' CD ' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.807 0.337 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.48 140.24 52.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -72.05 97.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.498 ' HA ' HG22 ' A' ' 83' ' ' VAL . 54.9 t -102.49 111.57 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' HG22 ' A' ' 85' ' ' VAL . 53.3 mttm -79.29 128.47 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.581 ' CG1' HD12 ' A' ' 87' ' ' ILE . 97.8 t -111.17 123.43 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 28' ' ' GLU . 51.8 t -120.96 128.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.791 HD13 HG21 ' A' ' 25' ' ' VAL . 37.9 mt -80.44 126.96 31.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -70.52 -58.69 4.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.73 -34.81 13.91 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.791 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -85.94 -46.52 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.4 83.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.523 ' HB3' HD12 ' A' ' 22' ' ' LEU . 22.1 tt0 -70.67 153.62 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.453 ' HG2' HG22 ' A' ' 21' ' ' VAL . 31.9 mt-10 -111.22 140.75 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 30' ' ' VAL . 80.0 mt -136.19 153.15 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.43 ' N ' HG22 ' A' ' 29' ' ' ILE . 85.4 t -132.98 113.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.56 128.59 10.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 124.87 11.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.8 t80 -126.37 135.8 51.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -62.8 133.43 54.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -73.71 -37.95 50.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.54 35.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.4 m -137.19 139.62 41.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.5 pp -51.55 169.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 67' ' ' LYS . 10.1 mt -91.53 -28.12 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.0 tttm -33.14 -71.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.873 ' CD2' HD11 ' A' ' 38' ' ' ILE . 42.0 m-85 -36.48 -64.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 23.2 tp -48.17 -36.32 13.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' LYS . 25.5 ttmt -68.6 -60.04 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.85 -25.59 20.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -62.77 -38.09 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -89.33 -33.37 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 3.7 p -58.42 -58.63 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.649 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.6 p80 -57.75 -53.85 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.649 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -51.79 -58.4 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 mt -57.68 -20.44 33.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.51 5.16 75.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.76 151.18 46.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.28 57.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.45 -19.41 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -53.15 -38.07 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 57' ' ' LEU . 33.0 m -90.46 -45.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 56' ' ' VAL . 3.3 tp -66.81 140.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' N ' HD12 ' A' ' 57' ' ' LEU . 12.9 mm100 -141.79 171.68 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.416 HD12 ' HE3' ' A' ' 43' ' ' LYS . 20.1 mt -128.62 147.12 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -122.7 139.6 53.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.538 ' HB3' HD21 ' A' ' 66' ' ' LEU . 68.3 t80 -154.93 130.47 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 58.44 25.15 12.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.07 5.45 75.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -119.19 139.21 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.711 0.291 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.39 116.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 61' ' ' TYR . 6.2 mt -78.54 161.75 26.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.612 ' O ' HD12 ' A' ' 39' ' ' LEU . 32.6 tttm -112.75 165.25 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -71.15 -49.58 42.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -69.41 -2.92 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 24.2 mm-40 -83.87 160.07 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.44 148.2 45.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.486 HD21 ' CD2' ' A' ' 39' ' ' LEU . 4.2 mm? -58.91 -44.95 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 m -65.58 -26.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.71 -25.62 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -92.21 -39.98 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.92 61.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.815 HG13 ' OE2' ' A' ' 81' ' ' GLU . 61.6 t -131.34 133.71 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -103.3 157.61 33.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 147.71 63.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 58.5 44.38 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.815 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.8 pt-20 -121.13 168.28 11.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.7 mt -116.71 124.81 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 18' ' ' VAL . 3.4 m -128.39 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -145.34 115.48 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 19' ' ' LYS . 18.7 m -125.26 145.98 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -108.37 138.83 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.581 HD12 ' CG1' ' A' ' 20' ' ' VAL . 38.9 mt -111.15 142.99 21.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 3.5 p90 -164.64 163.34 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 t -114.78 142.86 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.4 p -73.64 -37.22 65.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -111.23 80.84 2.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -36.47 10.75 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.08 -39.0 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.28 -51.73 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.475 ' CD1' HG11 ' A' ' 56' ' ' VAL . 64.3 m-85 -125.64 80.93 65.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.81 28.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.46 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 40.6 t -74.76 118.5 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.19 177.81 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.8 mt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.1 156.73 46.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 m -85.91 108.79 18.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -109.33 101.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.26 129.64 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.43 131.38 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.28 131.44 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.827 HD13 HG21 ' A' ' 25' ' ' VAL . 55.8 mt -84.43 127.05 33.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -72.51 -58.2 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.709 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -22.25 32.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.637 2.224 . . . . 0.0 112.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.827 HG21 HD13 ' A' ' 22' ' ' LEU . 2.7 t -101.73 -57.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 99.02 6.22 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.533 ' HB3' HD12 ' A' ' 22' ' ' LEU . 8.9 tt0 -81.06 148.75 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -106.33 131.19 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -127.79 150.47 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.47 126.25 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 6.5 tt -153.23 135.96 9.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.71 139.97 41.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 7.4 t80 -148.23 154.56 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 4.9 mptt -80.94 138.26 36.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.617 ' O ' HG13 ' A' ' 73' ' ' VAL . 26.1 m -83.89 -22.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.65 9.98 42.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.6 m -115.93 140.25 49.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.826 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.6 pp -47.46 172.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.6 mt -91.48 -29.23 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HB3' HD13 ' A' ' 38' ' ' ILE . 20.0 tptt -32.14 -71.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.826 ' CD2' HD11 ' A' ' 38' ' ' ILE . 44.1 m-85 -34.07 -45.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 19.1 tp -70.59 -43.43 69.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 40' ' ' LYS . 8.2 ttmm -53.37 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' HIS . 38.3 m-20 -48.32 -49.08 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' ASP . 3.7 t60 -34.61 -39.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 45.0 m-85 -90.82 -55.09 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' PHE . 15.3 m -37.04 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.4 p80 -46.3 -54.19 9.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.655 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.52 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.61 -26.87 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.85 17.05 49.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 33.7 pt -122.43 151.53 59.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.21 47.54 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -67.0 -12.26 59.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -57.54 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 95' ' ' TYR . 30.3 m -73.21 -36.36 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.582 HD11 HG23 ' A' ' 87' ' ' ILE . 8.8 tp -69.9 139.63 53.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -137.33 169.07 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.6 mt -131.43 123.94 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -109.52 131.71 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -138.81 125.35 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t 55.45 29.41 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.45 15.4 81.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.08 155.97 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -97.01 102.21 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -69.83 -177.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 39' ' ' LEU . 27.7 mttp -164.92 178.6 7.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.509 ' C ' ' ND2' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -68.96 -71.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.57 -26.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 148.24 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.54 161.63 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -64.43 -44.5 91.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 35' ' ' VAL . 27.2 m -66.73 -21.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -76.43 -25.82 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -91.69 -21.28 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.76 52.13 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.78 HG13 ' OE2' ' A' ' 81' ' ' GLU . 78.2 t -125.56 135.86 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.06 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -107.67 160.58 26.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.519 0.676 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.19 59.25 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 62.62 41.14 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.78 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.5 pt-20 -125.45 161.71 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.52 134.03 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.93 -177.49 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -144.04 119.89 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.82 162.37 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -121.87 139.7 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.582 HG23 HD11 ' A' ' 57' ' ' LEU . 19.9 mt -117.96 140.99 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.8 p90 -163.46 173.3 13.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 t -119.65 135.88 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.1 p -63.75 -36.84 85.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -128.33 86.96 56.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -17.53 37.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.22 -37.82 81.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.2 mt -90.04 -53.35 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.504 ' HB2' HG21 ' A' ' 56' ' ' VAL . 27.1 m-85 -126.95 78.61 73.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.682 0.753 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 141.06 44.04 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.477 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 42.8 t -77.13 142.65 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -121.15 -176.39 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.525 ' HB2' HG11 ' A' ' 25' ' ' VAL . 13.4 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p -115.91 131.7 56.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -144.61 111.53 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.36 -60.74 0.14 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.7 t -42.52 128.34 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -163.57 126.97 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.87 -148.31 0.22 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -128.7 123.56 33.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.756 0.312 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -171.51 118.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.1 t -125.82 83.79 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.2 m -151.76 164.2 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.17 40.87 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -81.42 -32.39 32.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 m -109.97 -43.72 3.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD21 ' HD2' ' A' ' 34' ' ' LYS . 12.6 mt -44.63 133.67 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 81' ' ' GLU . . . -121.19 163.29 18.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -87.26 110.92 20.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -114.95 109.72 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -81.93 136.76 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.526 ' CG1' HD12 ' A' ' 87' ' ' ILE . 63.2 t -116.75 131.65 68.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.96 127.04 69.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.764 HD13 HG21 ' A' ' 25' ' ' VAL . 34.7 mt -77.25 127.6 32.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.6 mm -70.93 -58.38 4.25 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.688 . . . . 0.0 111.087 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.73 -33.88 15.81 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.749 2.299 . . . . 0.0 112.317 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.764 HG21 HD13 ' A' ' 22' ' ' LEU . 2.6 t -87.03 -46.86 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.52 83.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' HB3' HD12 ' A' ' 22' ' ' LEU . 6.5 tt0 -70.12 174.07 5.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -129.6 129.5 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.0 mt -136.29 132.53 49.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.155 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.7 t -113.29 131.29 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.12 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.47 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 3.5 tt -151.8 136.39 10.26 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.47 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.75 135.5 30.63 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -141.62 143.55 33.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.87 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HD2' HD21 ' A' ' 15' ' ' LEU . 1.3 mptm? -73.66 142.22 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 73' ' ' VAL . 33.3 m -79.56 -18.18 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -92.39 -21.38 20.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.2 m -83.58 132.81 34.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.4 pt -52.3 166.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.489 ' CD1' ' HB3' ' A' ' 66' ' ' LEU . 14.0 mt -73.97 -43.72 57.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 43' ' ' LYS . 4.5 ttpp -35.33 -60.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -36.0 -48.65 0.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 24.5 tp -71.36 -36.53 71.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.6 ttpp -67.52 -65.96 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' LYS . 22.3 t70 -34.92 -32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' LYS . 5.3 t60 -60.88 -68.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.824 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -50.32 -34.81 25.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -56.34 -68.03 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.2 p-80 -49.14 -54.75 14.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.663 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.3 tm? -49.61 -53.92 21.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 98' ' ' ARG . 19.6 mt -64.83 -26.4 68.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.02 12.85 59.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 33.5 pt -118.79 149.51 46.65 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.719 . . . . 0.0 111.131 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.466 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.6 Cg_endo -69.74 160.08 51.02 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.304 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -85.32 -16.95 38.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -55.28 -23.84 25.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG21 ' HB2' ' A' ' 95' ' ' TYR . 35.4 m -106.82 -31.77 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 87' ' ' ILE . 11.3 tp -79.6 136.5 36.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' N ' HD12 ' A' ' 57' ' ' LEU . 7.1 mt-30 -138.48 179.83 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 60' ' ' ARG . 29.7 mt -130.14 159.19 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.509 HH21 HD11 ' A' ' 65' ' ' ILE . 20.4 ttm180 -136.9 138.91 41.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.528 ' CB ' HD11 ' A' ' 66' ' ' LEU . 72.7 t80 -150.08 125.3 10.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.3 p 56.29 38.73 30.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.22 20.77 69.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -120.57 162.99 18.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.509 HD11 HH21 ' A' ' 60' ' ' ARG . 40.0 mm -103.27 102.77 14.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.528 HD11 ' CB ' ' A' ' 61' ' ' TYR . 61.3 mt -74.14 141.99 45.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.5 ttmm -97.11 162.09 13.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -62.84 -55.54 25.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.77 -5.79 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.66 156.75 30.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.97 158.97 35.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.5 mm? -65.51 -43.69 89.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.963 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 35' ' ' VAL . 15.7 m -63.35 -19.63 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -76.5 -33.16 58.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.449 ' CD2' HD22 ' A' ' 66' ' ' LEU . 12.5 m-70 -86.23 -18.94 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.88 60.16 0.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.915 HG13 ' OE2' ' A' ' 81' ' ' GLU . 85.7 t -129.69 126.01 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 111.135 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.502 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 20.6 mmtp -95.48 160.73 29.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.564 0.697 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.502 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.6 Cg_endo -69.66 153.91 68.78 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.367 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 58.82 43.79 17.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.915 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.8 pt-20 -126.3 163.19 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.87 134.9 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.4 177.71 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -139.98 124.58 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.4 153.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -113.48 146.45 39.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.596 HG23 HD11 ' A' ' 57' ' ' LEU . 49.7 mt -119.81 146.58 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.9 p90 -166.77 164.28 16.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 t -116.24 134.34 55.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.1 p -61.92 -40.35 95.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.617 HD22 HD12 ' A' ' 94' ' ' LEU . 4.0 m120 -111.66 81.75 3.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -36.15 11.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.645 2.23 . . . . 0.0 112.362 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -61.95 -36.81 82.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.617 HD12 HD22 ' A' ' 91' ' ' ASN . 28.3 mt -89.79 -52.67 4.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.466 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 32.6 m-85 -125.58 80.63 65.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.713 0.768 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.3 60.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.24 . . . . 0.0 112.34 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 48.0 t -97.13 125.76 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.51 ' H ' HD22 ' A' ' 50' ' ' LEU . 17.2 mmm180 -112.93 175.01 5.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.761 ' HG3' HG11 ' A' ' 25' ' ' VAL . 44.8 mtm180 -76.64 154.45 34.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.3 mm -80.85 150.37 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -125.35 142.31 51.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.27 -45.61 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.3 tp -130.63 158.31 40.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.7 m -123.61 103.25 8.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -101.87 165.11 11.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 m -137.42 155.35 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -143.56 175.68 9.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -138.21 170.03 16.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 6.9 tt -174.15 160.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.1 tt -160.39 149.17 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -148.0 147.72 29.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.3 t -97.36 134.48 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.1 t -88.5 172.08 9.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.52 145.44 27.76 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -175.66 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.1 t -63.69 -178.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.4 m -90.33 -58.9 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -73.69 99.44 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.833 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -172.05 139.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.79 147.46 13.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.451 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.9 p -58.42 141.28 51.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -56.46 -48.02 77.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.55 67.29 2.1 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -71.1 111.27 6.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -81.64 -51.72 7.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m 55.91 54.54 7.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.25 115.97 48.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -98.31 88.77 4.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -153.1 116.45 4.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 48.9 m 63.79 43.43 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 ' CD ' ' A' ' 34' ' ' LYS . 12.2 mt -88.23 144.13 26.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.69 149.29 52.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.4 m -79.16 98.34 6.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.155 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -97.84 114.61 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 85' ' ' VAL . 39.2 mtmt -88.21 138.16 31.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 87' ' ' ILE . 57.8 t -121.68 130.74 74.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.9 t -123.95 128.54 74.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 25' ' ' VAL . 41.6 mt -78.44 126.45 30.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.8 -58.4 3.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.671 0.748 . . . . 0.0 111.148 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.8 -21.26 33.57 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.71 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -103.16 -58.3 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 103.24 -5.1 48.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.592 ' HB3' HD12 ' A' ' 22' ' ' LEU . 13.2 tt0 -70.04 156.11 39.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -111.95 136.88 50.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.7 mt -134.13 139.39 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 69.6 t -119.02 125.71 74.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 tt -149.1 133.65 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HB2' HD22 ' A' ' 15' ' ' LEU . 54.1 Cg_endo -69.72 127.2 14.28 Favored 'Trans proline' 0 N--CA 1.465 -0.149 0 C-N-CA 122.732 2.288 . . . . 0.0 112.351 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 4.3 t80 -128.0 141.08 51.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.521 ' CD ' HD21 ' A' ' 15' ' ' LEU . 1.6 mppt? -80.47 122.02 26.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 ' HB ' HG13 ' A' ' 73' ' ' VAL . 32.5 m -58.38 -22.84 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 p30 -89.56 -9.06 51.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.7 m -94.29 125.18 38.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.0 pt -46.78 167.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 40' ' ' LYS . 15.0 mt -74.98 -40.48 60.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 30.1 tttp -36.58 -57.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.0 m-85 -36.29 -58.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.549 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.3 tp -58.09 -41.62 83.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -56.67 -52.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.595 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.3 t60 -48.89 -34.78 13.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.453 ' O ' ' C ' ' A' ' 47' ' ' SER . 37.0 m-85 -91.12 -64.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 46' ' ' PHE . 2.0 t -34.53 -50.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.698 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.0 p-80 -61.56 -52.53 64.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.698 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -60.25 -62.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.446 ' HG ' HD11 ' A' ' 100' ' ' ILE . 37.3 mt -48.82 -24.37 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.893 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.36 -26.09 24.37 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 28.8 pt -83.9 151.04 60.15 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.8 Cg_endo -69.8 148.9 65.86 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -69.88 -16.69 63.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -53.33 -59.93 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.568 HG21 ' HB2' ' A' ' 95' ' ' TYR . 31.2 m -70.18 -40.98 78.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 87' ' ' ILE . 5.5 tp -66.38 138.61 57.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -144.24 166.46 25.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 60' ' ' ARG . 94.1 mt -120.94 159.61 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.54 ' N ' HG22 ' A' ' 59' ' ' ILE . 12.1 ttp180 -135.58 127.22 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.736 ' HB3' HD11 ' A' ' 66' ' ' LEU . 79.5 t80 -142.87 125.32 15.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t 68.75 29.68 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.78 2.09 27.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 145.12 42.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.761 0.315 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 35.6 mm -79.98 123.59 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 61' ' ' TYR . 7.5 mt -88.91 178.97 6.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -133.04 179.23 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -75.94 -60.06 2.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -57.05 -12.74 2.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -76.28 138.85 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -113.31 149.06 34.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 72' ' ' LEU . 2.4 mm? -55.26 -48.11 74.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 35' ' ' VAL . 2.8 m -60.31 -34.77 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -64.87 -26.98 68.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -87.08 -28.08 22.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.36 51.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.828 HG13 ' OE2' ' A' ' 81' ' ' GLU . 59.5 t -123.61 127.32 73.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.88 0.372 . . . . 0.0 111.106 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.491 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 28.9 mmtm -101.22 160.73 25.78 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.549 0.69 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 53.7 Cg_endo -69.78 149.43 66.76 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 66.07 44.9 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.828 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.0 pt-20 -129.52 160.19 33.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mt -111.17 125.27 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 m -127.75 175.75 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -140.39 128.13 21.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 19' ' ' LYS . 10.3 m -135.27 148.05 28.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.42 138.22 48.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 57' ' ' LEU . 20.1 mt -111.08 141.68 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -158.74 174.0 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -126.67 135.17 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.7 p -68.81 -39.57 80.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.596 ' ND2' HD12 ' A' ' 94' ' ' LEU . 3.9 m120 -109.78 81.02 1.83 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.63 24.77 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.43 -40.6 73.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.596 HD12 ' ND2' ' A' ' 91' ' ' ASN . 33.0 mt -86.78 -50.45 6.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.568 ' HB2' HG21 ' A' ' 56' ' ' VAL . 28.9 m-85 -127.53 79.44 73.4 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.682 0.753 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 154.97 66.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.471 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 60.2 t -93.44 140.16 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -123.56 -179.98 4.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -97.63 155.16 17.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.446 HD11 ' HG ' ' A' ' 50' ' ' LEU . 65.1 mt -130.34 133.52 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -123.96 90.04 3.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.574 ' C ' HD23 ' A' ' 103' ' ' LEU . . . -103.24 -15.02 24.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.502 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.806 ' N ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -138.54 158.75 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.92 0.39 . . . . 0.0 110.896 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.8 t -69.18 146.15 52.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -88.04 171.57 10.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 106' ' ' VAL . 11.1 p -100.79 119.86 49.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 55.0 m -166.77 174.65 8.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -105.29 -36.05 7.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 9.7 tp -169.86 146.99 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' THR . 4.6 tp -136.42 138.4 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 110' ' ' ILE . 3.8 p -34.75 -72.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.7 m -58.12 168.11 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 71.1 m -115.35 139.24 50.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 161.11 -86.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -8.93 24.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 15.7 t -88.28 138.53 31.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 70.8 m -79.24 134.97 36.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 m -72.24 177.33 4.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.89 0.376 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 p -169.82 160.27 8.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.62 160.62 26.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.526 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 m -122.01 123.81 42.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.381 . . . . 0.0 110.826 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 p -119.66 100.05 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.58 -64.59 0.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.462 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.425 ' HB2' HG11 ' A' ' 11' ' ' VAL . 7.7 pt20 -96.32 61.21 2.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.876 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -77.69 -61.54 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 83.5 p -93.38 71.48 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' A' ' 8' ' ' GLN . 27.5 m -122.31 128.85 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.802 ' HA ' HD12 ' A' ' 15' ' ' LEU . 5.3 pt-20 -121.02 36.25 4.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -75.14 -47.05 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -106.51 46.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.802 HD12 ' HA ' ' A' ' 12' ' ' GLU . 29.5 mt -120.74 127.37 51.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.69 132.38 56.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.0 m -69.57 102.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -102.78 110.34 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HG2' HG22 ' A' ' 30' ' ' VAL . 20.4 mtpp -84.78 121.0 27.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG11 HD12 ' A' ' 87' ' ' ILE . 53.6 t -101.71 141.49 18.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.7 t -131.29 131.35 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.742 HD13 HG21 ' A' ' 25' ' ' VAL . 59.9 mt -82.38 124.18 29.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -71.15 -58.28 4.13 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 111.131 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.522 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 -28.62 24.85 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.742 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -94.4 -56.55 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.45 -8.08 51.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.55 ' HB3' HD12 ' A' ' 22' ' ' LEU . 4.8 tt0 -78.46 138.95 38.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.719 0.295 . . . . 0.0 110.954 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.429 ' C ' HG13 ' A' ' 29' ' ' ILE . 19.4 tt0 -99.93 154.22 18.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.429 HG13 ' C ' ' A' ' 28' ' ' GLU . 55.9 mt -147.23 130.22 8.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.431 HG22 ' HG2' ' A' ' 19' ' ' LYS . 76.3 t -105.49 122.71 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.472 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 7.7 tt -143.65 136.11 13.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.669 0.747 . . . . 0.0 111.129 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.7 Cg_endo -69.73 118.74 5.86 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.752 2.301 . . . . 0.0 112.358 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.5 t80 -119.75 153.7 35.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -88.77 136.53 32.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.43 -19.72 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -100.11 24.56 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.7 m -133.56 138.68 46.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.455 HD12 ' CB ' ' A' ' 40' ' ' LYS . 28.0 pt -52.16 156.81 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.558 HD12 ' O ' ' A' ' 67' ' ' LYS . 9.4 mt -69.88 -34.55 73.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.455 ' CB ' HD12 ' A' ' 38' ' ' ILE . 5.1 tmtm? -36.47 -56.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.5 m-85 -34.97 -59.13 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 9.7 tp -66.73 -39.26 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -51.26 -59.6 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 45' ' ' HIS . 2.7 p30 -56.32 -51.9 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 4.6 t60 -36.41 -38.56 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -87.79 -55.3 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.9 t -39.58 -59.72 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.669 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.9 p-80 -55.06 -55.12 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.669 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -49.69 -62.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 98' ' ' ARG . 17.4 mt -52.14 -24.98 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.24 5.3 72.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.473 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.2 pt -112.93 151.39 44.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.594 0.711 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.7 152.48 69.65 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.364 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -77.46 -14.81 59.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.8 t -56.56 -25.65 52.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.643 HG21 ' HB2' ' A' ' 95' ' ' TYR . 27.1 m -105.09 -32.59 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.091 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.516 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.4 tp -75.65 137.08 40.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' HG3' HG23 ' A' ' 90' ' ' THR . 20.7 mt-30 -137.9 163.67 30.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 26.7 mt -125.39 128.39 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.473 ' CZ ' ' OE1' ' A' ' 86' ' ' GLU . 18.0 ttp180 -109.97 130.56 55.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.541 ' CB ' HD11 ' A' ' 66' ' ' LEU . 61.8 t80 -136.04 127.69 28.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 t 53.71 38.15 27.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.75 26.03 74.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.523 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -127.14 157.47 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.713 0.292 . . . . 0.0 110.923 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.2 mm -98.29 91.84 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.541 HD11 ' CB ' ' A' ' 61' ' ' TYR . 46.5 mt -60.93 161.18 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.558 ' O ' HD12 ' A' ' 39' ' ' LEU . 36.0 mttp -125.56 -176.29 3.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -78.95 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.71 -21.81 42.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.53 132.37 47.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.1 m -100.47 159.77 14.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.528 HD21 HD23 ' A' ' 39' ' ' LEU . 4.0 mm? -65.47 -51.37 60.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.0 m -57.46 -27.28 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -66.84 -35.96 81.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 -83.75 -23.69 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.12 67.03 0.49 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.46 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.965 HG13 ' OE2' ' A' ' 81' ' ' GLU . 94.9 t -132.03 120.3 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -88.21 153.87 51.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.543 0.687 . . . . 0.0 110.925 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 145.43 57.19 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.711 2.274 . . . . 0.0 112.356 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' LEU . 94.3 mt-30 62.28 38.99 12.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.965 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.4 pt-20 -118.33 177.03 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.6 mt -122.76 133.38 69.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.92 -177.1 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.161 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -142.87 116.23 9.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.0 m -118.21 170.34 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' OE1' ' CZ ' ' A' ' 60' ' ' ARG . 35.0 mt-10 -132.14 138.8 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.516 HG23 ' CD1' ' A' ' 57' ' ' LEU . 25.2 mt -119.39 139.72 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -165.03 167.98 17.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.8 t -114.86 134.17 55.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.401 HG23 ' HG3' ' A' ' 58' ' ' GLN . 65.1 p -62.8 -37.49 86.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.697 ' ND2' HD12 ' A' ' 94' ' ' LEU . 11.7 t-20 -119.34 80.93 21.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.568 0.699 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -15.32 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.332 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.85 -36.83 62.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.697 HD12 ' ND2' ' A' ' 91' ' ' ASN . 17.2 mt -92.23 -46.9 7.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.643 ' HB2' HG21 ' A' ' 56' ' ' VAL . 50.2 m-85 -128.54 80.6 72.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.693 0.758 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.75 48.8 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.314 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.405 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 20.9 t -86.08 118.21 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.428 ' O ' ' CD2' ' A' ' 50' ' ' LEU . 4.8 mmp_? -109.07 148.37 30.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 99' ' ' ARG . 6.7 ttp-105 -52.76 145.07 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.3 mm -73.77 110.96 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -60.82 143.04 55.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.98 -158.04 15.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.617 HD23 ' N ' ' A' ' 104' ' ' THR . 3.8 tt -41.93 136.0 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.617 ' N ' HD23 ' A' ' 103' ' ' LEU . 14.1 t -134.71 161.3 35.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -122.75 136.5 54.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 106' ' ' VAL . 12.4 p -46.76 118.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -161.75 137.03 7.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -145.95 127.01 14.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.0 pt -154.33 174.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.4 tt -165.16 146.12 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.1 p -138.1 145.54 41.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.79 93.79 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.9 p -129.61 123.07 30.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -106.77 82.41 0.32 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 166.54 27.33 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 117' ' ' SER . 28.5 t -167.62 149.98 5.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 116' ' ' SER . 47.8 t -35.78 122.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.811 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -163.56 173.84 12.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.921 0.391 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -140.52 175.79 9.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 -174.43 13.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -153.4 152.36 30.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 p -125.02 166.24 16.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.57 89.3 0.25 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -151.57 153.91 35.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.721 0.296 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -75.0 150.54 38.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.9 p -97.66 140.76 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.85 138.42 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.86 81.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.95 121.16 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 57.5 m 60.29 47.72 8.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.5 mt -89.64 135.82 33.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -126.38 137.82 53.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.4 m -63.84 106.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.8 t -114.39 117.7 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -94.32 125.01 38.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG11 HD12 ' A' ' 87' ' ' ILE . 97.1 t -104.68 132.01 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.497 HG22 ' HG3' ' A' ' 28' ' ' GLU . 58.2 t -120.89 129.77 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.735 HD13 HG21 ' A' ' 25' ' ' VAL . 29.2 mt -81.55 125.39 30.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.5 mm -70.04 -57.96 5.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 111.148 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.2 Cg_endo -69.76 -33.24 16.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.725 2.284 . . . . 0.0 112.294 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.735 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -88.12 -52.68 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.99 3.66 63.7 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.486 ' HB3' HD12 ' A' ' 22' ' ' LEU . 16.0 tt0 -81.63 156.52 25.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.917 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' HG3' HG22 ' A' ' 21' ' ' VAL . 7.0 mp0 -112.15 135.97 52.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.1 mt -132.72 140.72 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -117.37 125.69 74.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 tt -152.43 134.07 8.33 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 119.73 6.63 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.645 2.23 . . . . 0.0 112.328 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.6 t80 -122.06 148.4 44.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -81.53 138.18 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 73' ' ' VAL . 21.1 m -83.64 -6.06 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 36' ' ' ASP . 0.9 OUTLIER -112.0 -0.33 15.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 51.5 m -104.11 124.92 49.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pt -40.6 142.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.7 mt -61.83 -15.48 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -51.89 -47.4 64.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -45.98 -66.17 0.44 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -54.7 -34.77 62.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmt -62.76 -42.61 99.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.75 -49.33 59.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -43.74 -36.54 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.47 -26.66 20.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.1 p -66.35 -38.39 87.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.666 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 3.6 p-80 -76.39 -54.72 6.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.666 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 1.5 tm? -50.16 -56.49 10.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.619 HD22 ' H ' ' A' ' 98' ' ' ARG . 41.8 mt -61.63 -41.37 97.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.22 -0.11 44.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.2 pt -104.24 150.61 38.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.159 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 139.34 39.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.305 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -58.9 -12.47 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -58.69 -55.84 29.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 95' ' ' TYR . 5.3 m -74.11 -28.09 22.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.421 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.2 tp -80.35 135.9 36.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -136.38 171.33 14.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.6 mt -127.13 140.94 47.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -123.69 133.84 53.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.735 ' HB3' HD11 ' A' ' 66' ' ' LEU . 78.6 t80 -151.21 138.53 19.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 55.65 31.01 16.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.78 6.37 43.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -122.91 137.29 54.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 48.0 mm -73.06 135.58 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.735 HD11 ' HB3' ' A' ' 61' ' ' TYR . 2.0 mt -106.87 158.74 16.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -114.5 157.9 22.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -58.97 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -48.87 -22.09 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.23 157.4 22.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.65 170.83 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.501 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.2 mm? -69.15 -37.17 78.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 35' ' ' VAL . 13.8 m -60.2 -41.57 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -64.71 -11.09 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -105.95 -14.13 15.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.42 64.09 0.67 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.55 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.661 HG13 ' OE2' ' A' ' 81' ' ' GLU . 46.8 t -138.75 136.4 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 111.158 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -106.1 156.16 37.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 140.57 43.02 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.304 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 73.93 44.63 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.661 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.6 pt-20 -126.96 168.4 14.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 94.3 mt -110.72 131.27 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.3 m -141.35 -177.24 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -146.49 117.94 7.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.551 HG12 ' CD1' ' A' ' 61' ' ' TYR . 6.4 m -123.6 144.27 33.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -103.1 159.53 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.544 HD12 HG11 ' A' ' 20' ' ' VAL . 22.9 mt -137.62 140.73 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -161.15 168.8 23.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 30.9 t -119.83 131.71 55.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 72.9 p -61.65 -28.67 69.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.132 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -123.02 81.89 50.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.43 25.16 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.58 -48.11 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 95' ' ' TYR . 18.8 mt -79.43 -44.81 20.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.449 ' HB2' HG21 ' A' ' 56' ' ' VAL . 40.0 m-85 -134.41 81.9 47.8 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 162.56 41.59 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.44 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 56.8 t -103.18 130.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.619 ' H ' HD22 ' A' ' 50' ' ' LEU . 37.7 mmm-85 -112.55 158.87 19.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.521 ' HB3' HG11 ' A' ' 25' ' ' VAL . 12.7 ptt180 -69.68 157.38 37.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 mm -94.86 116.86 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -56.21 138.18 50.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 148.88 137.83 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.71 127.55 31.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.4 p -124.12 157.23 35.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -108.79 64.28 0.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.2 m -103.69 159.83 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.156 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.9 m -154.63 133.69 12.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.17 94.82 4.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.6 pt -116.5 39.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.4 tt -163.51 160.16 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.193 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 111' ' ' THR . 11.8 t -89.04 50.92 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.401 ' O ' HG13 ' A' ' 112' ' ' VAL . 9.6 p -51.07 127.34 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 23.1 t -111.78 161.81 15.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 160.16 81.57 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.72 37.24 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.712 2.275 . . . . 0.0 112.34 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.8 m -122.11 148.27 45.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 t -115.14 -61.48 1.74 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.0 p -116.81 104.2 11.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 43.85 41.78 4.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.64 162.54 54.33 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -68.8 152.51 45.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -154.45 142.53 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.8 130.65 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -61.48 -48.23 82.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -76.03 132.74 40.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.9 p -107.69 150.05 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.414 ' C ' ' HG2' ' A' ' 12' ' ' GLU . 29.3 m -69.08 -38.09 77.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' HG2' ' C ' ' A' ' 11' ' ' VAL . 5.0 pt-20 38.31 44.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.92 -23.21 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.8 m -125.91 44.58 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.2 135.98 41.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.75 129.98 51.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -65.34 101.73 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 70.3 t -104.56 112.9 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 85' ' ' VAL . 59.0 mttm -85.7 139.54 31.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.647 ' CG1' HD12 ' A' ' 87' ' ' ILE . 77.6 t -120.79 118.99 58.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.106 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.4 t -113.35 127.27 70.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.831 HD13 HG21 ' A' ' 25' ' ' VAL . 61.3 mt -75.49 126.37 30.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -70.87 -58.7 4.07 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.537 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -33.43 16.62 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.373 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.831 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -88.0 -52.62 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.51 -5.39 60.44 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.438 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.556 ' HB3' HD12 ' A' ' 22' ' ' LEU . 38.4 tt0 -76.69 144.22 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -106.04 144.43 32.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.9 mt -137.62 148.09 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -122.22 125.03 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.456 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.9 tt -149.12 137.33 11.69 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.742 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.0 Cg_endo -69.77 141.68 45.84 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.719 2.279 . . . . 0.0 112.333 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 6.2 t80 -146.44 151.02 36.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.73 127.13 34.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.743 ' O ' HG13 ' A' ' 73' ' ' VAL . 26.6 m -68.82 -12.8 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.35 5.44 37.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.7 m -107.61 131.3 54.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.4 pt -51.49 144.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 72' ' ' LEU . 9.3 mt -61.8 -23.69 66.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 2.6 tmtt? -46.01 -64.25 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.8 m-85 -34.51 -69.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 19.6 tp -43.96 -42.71 6.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 40' ' ' LYS . 10.7 ttmt -44.17 -69.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' HIS . 0.6 OUTLIER -41.23 -46.4 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' ASP . 2.8 t60 -35.8 -47.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -90.97 -35.09 14.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.43 -58.54 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.7 p80 -61.67 -54.18 46.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -51.14 -59.45 4.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 61.6 mt -53.83 -31.67 50.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.06 13.46 49.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 13.8 pt -123.29 148.53 55.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.607 0.718 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.639 ' O ' HG22 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.78 130.38 19.22 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.655 2.236 . . . . 0.0 112.38 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -51.16 -19.8 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.6 t -53.51 -34.9 59.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 53' ' ' PRO . 17.1 m -93.61 -23.97 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.584 HD11 HG23 ' A' ' 87' ' ' ILE . 4.2 tp -91.93 133.18 35.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -132.87 170.91 14.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 61.1 mt -129.31 134.1 64.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -118.88 126.05 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.874 ' HB3' HD11 ' A' ' 66' ' ' LEU . 44.7 t80 -136.66 142.67 43.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m 58.95 29.19 18.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.6 7.23 57.85 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -122.65 147.65 46.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.5 mm -79.68 125.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.874 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.6 mt -93.94 173.38 7.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -118.27 -178.51 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -86.72 -48.05 8.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -69.97 -8.91 52.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -71.45 166.93 20.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.507 HG22 HG22 ' A' ' 73' ' ' VAL . 3.3 m -135.77 147.41 48.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 39' ' ' LEU . 3.2 mm? -60.56 -42.68 97.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.743 HG13 ' O ' ' A' ' 35' ' ' VAL . 9.5 m -65.62 -30.51 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -72.42 -28.91 63.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -83.47 -34.76 25.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 129.87 54.95 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.709 HG13 ' OE2' ' A' ' 81' ' ' GLU . 60.6 t -128.17 131.41 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 111.113 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 26.1 mmtm -103.7 160.81 24.91 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.592 0.711 . . . . 0.0 110.89 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.2 Cg_endo -69.72 145.59 57.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.383 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 66.51 51.95 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.709 ' OE2' HG13 ' A' ' 77' ' ' VAL . 6.3 pt-20 -133.33 166.19 23.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.7 mt -116.54 127.34 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 m -128.98 -178.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -145.94 114.93 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 19' ' ' LYS . 8.6 m -124.65 146.06 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -108.36 135.52 49.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.647 HD12 ' CG1' ' A' ' 20' ' ' VAL . 40.6 mt -107.74 143.22 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 4.0 p90 -164.66 168.24 18.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 t -114.77 143.47 45.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -72.59 -33.35 66.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.153 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.627 ' ND2' HD12 ' A' ' 94' ' ' LEU . 11.1 t-20 -124.25 81.29 58.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.27 37.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -72.0 -38.89 69.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.627 HD12 ' ND2' ' A' ' 91' ' ' ASN . 13.7 mt -91.84 -47.45 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.549 ' CD1' HG11 ' A' ' 56' ' ' VAL . 44.8 m-85 -128.22 80.69 71.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.709 0.766 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 150.55 68.45 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.5 t -93.25 136.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -117.61 -174.96 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.69 152.83 18.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.55 92.83 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 40.44 43.17 1.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -60.16 -170.91 0.54 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 26.1 mt -133.55 140.42 47.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.939 0.4 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.5 p -132.38 -43.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.8 142.2 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 p -133.87 147.25 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 9.4 t -94.55 -54.08 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -143.74 125.72 15.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.4 tt -145.96 121.51 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 7.1 tt -161.95 155.02 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 66.3 m -103.12 144.25 31.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.27 134.77 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.5 p -54.31 164.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -129.33 -171.17 12.9 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -170.1 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.9 p -145.1 178.28 8.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.3 m -130.26 177.67 7.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' GLY . 1.7 t -35.7 -44.47 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.896 0.379 . . . . 0.0 110.871 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 p -40.93 156.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.44 172.73 55.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -127.21 147.07 50.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.805 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -156.49 172.23 18.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.94 117.59 0.78 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -96.87 118.07 32.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -136.33 153.29 51.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.3 m -69.43 -59.66 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.1 t -44.01 136.48 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -122.18 131.7 54.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -109.87 74.75 0.9 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 m 61.98 49.29 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 HD21 ' CD ' ' A' ' 34' ' ' LYS . 10.5 mt -88.9 144.27 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.948 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -128.09 138.89 52.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.9 m -68.91 105.96 2.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.4 t -108.5 111.93 38.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -84.44 146.43 27.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.417 ' CG1' HD12 ' A' ' 87' ' ' ILE . 75.4 t -125.59 124.17 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.685 HG22 ' HG2' ' A' ' 28' ' ' GLU . 89.3 t -119.11 126.73 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.832 HD13 HG21 ' A' ' 25' ' ' VAL . 38.0 mt -77.61 125.62 29.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.528 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.78 -58.41 3.53 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 0.0 111.169 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.528 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.8 -22.57 31.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.374 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.832 HG21 HD13 ' A' ' 22' ' ' LEU . 2.3 t -101.48 -58.39 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 102.77 -1.29 48.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.432 ' HB3' HD12 ' A' ' 22' ' ' LEU . 19.6 tt0 -76.01 147.3 38.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.685 ' HG2' HG22 ' A' ' 21' ' ' VAL . 23.6 mt-10 -103.33 140.21 37.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 86.3 mt -136.49 137.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.0 t -117.1 128.58 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.418 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 5.1 tt -155.15 135.48 8.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.657 0.741 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.77 134.05 27.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.638 2.225 . . . . 0.0 112.377 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 5.1 t80 -137.5 154.62 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' CD ' HD21 ' A' ' 15' ' ' LEU . 1.4 mppt? -87.62 131.55 34.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.6 m -73.79 -22.38 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -85.2 -26.78 26.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 37.8 m -82.63 131.67 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 pt -48.15 175.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.67 HD11 HD13 ' A' ' 66' ' ' LEU . 20.8 mt -82.21 -30.41 30.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.7 ttpm? -44.27 -58.09 3.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 40' ' ' LYS . 12.7 m-85 -34.92 -59.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 16.8 tp -64.28 -41.2 97.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -47.27 -69.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -42.94 -48.22 5.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.588 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.09 -39.24 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -86.61 -47.44 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.1 p -47.98 -48.92 32.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.658 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.5 p-80 -65.88 -54.6 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.839 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.658 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -52.17 -62.88 1.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.84 -25.81 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.05 27.92 27.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.472 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.5 pt -136.85 152.38 74.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 111.087 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 143.08 49.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.352 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -71.04 -7.59 47.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.5 t -61.22 -44.94 96.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.594 HG21 ' HB2' ' A' ' 95' ' ' TYR . 16.2 m -84.15 -32.23 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 87' ' ' ILE . 6.7 tp -77.23 137.98 39.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' HD12 ' A' ' 57' ' ' LEU . 15.9 mm-40 -139.64 163.17 33.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.6 mt -115.74 148.31 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -121.16 134.71 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -149.73 125.39 10.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.6 p 53.15 43.21 31.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 61.97 19.3 58.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -118.58 158.99 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.5 mm -102.56 90.6 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.67 HD13 HD11 ' A' ' 39' ' ' LEU . 62.7 mt -57.63 162.23 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -124.33 -175.95 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -80.39 -41.01 25.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -74.8 -13.68 60.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.38 148.95 37.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.7 m -125.02 146.22 49.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.27 -43.68 64.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 m -69.0 -33.4 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -63.31 -31.49 72.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -84.87 -32.51 23.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.59 55.7 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.832 HG13 ' OE2' ' A' ' 81' ' ' GLU . 76.5 t -125.58 125.21 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.0 157.06 37.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.528 0.68 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 153.13 69.43 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.637 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 63.76 37.53 9.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.832 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.3 pt-20 -121.74 163.85 18.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.0 mt -112.68 123.01 67.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 m -122.24 176.24 4.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -145.18 114.07 6.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.2 m -122.45 162.55 22.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -122.32 133.98 54.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.612 HG23 HD11 ' A' ' 57' ' ' LEU . 36.1 mt -107.08 144.61 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.7 p90 -162.35 174.49 12.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.6 t -119.34 128.46 54.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.9 p -53.84 -40.97 66.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.146 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -127.11 86.29 59.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.596 0.712 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -12.84 33.68 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -73.17 -28.63 62.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -102.59 -51.71 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.594 ' HB2' HG21 ' A' ' 56' ' ' VAL . 28.9 m-85 -125.0 78.66 66.02 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.707 0.765 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 156.26 63.69 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.599 HG11 HD22 ' A' ' 22' ' ' LEU . 97.4 t -92.37 151.25 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -134.5 166.69 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 ptt-85 -84.31 158.31 21.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' ASP . 72.8 mt -125.26 89.59 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' ILE . 8.0 t70 -36.11 140.67 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -174.04 -134.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.1 tp -141.36 115.16 9.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.3 p -85.7 147.84 26.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -140.12 105.85 5.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.3 t -116.39 134.54 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.4 m -132.95 121.27 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -132.36 -34.84 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.607 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.3 tt -78.92 107.73 11.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 16.5 tt -173.0 162.16 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 12.0 t -138.39 160.58 39.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.09 141.8 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.3 t -43.09 141.95 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -127.9 -163.4 11.35 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -174.52 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 2.4 m -169.75 175.86 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 118' ' ' GLY . 1.7 t -88.64 162.41 16.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 117' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -63.54 96.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.359 . . . . 0.0 110.844 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -62.41 99.95 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 61.61 168.43 0.61 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -75.87 100.84 4.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.95 0.405 . . . . 0.0 110.859 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -100.42 149.61 23.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.27 95.59 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.452 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -96.44 104.66 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 0.0 110.943 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -132.05 145.74 51.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 81.0 p -145.35 156.36 43.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 98.4 t -88.95 130.47 38.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -143.84 139.71 29.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -78.89 -17.82 54.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.0 m -93.88 44.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.434 HD13 ' HB2' ' A' ' 32' ' ' PRO . 95.9 mt -114.38 131.45 56.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' ' 18' ' ' VAL . . . -114.12 128.4 56.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 30.2 m -60.54 101.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 16' ' ' ALA . 93.0 t -107.92 111.54 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.583 ' O ' HG22 ' A' ' 85' ' ' VAL . 38.6 mtmt -85.33 128.69 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.402 HG11 HD12 ' A' ' 87' ' ' ILE . 36.1 t -110.92 129.23 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.2 t -122.95 130.51 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' A' ' 27' ' ' GLN . 37.9 mt -78.92 125.23 29.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.525 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -71.37 -58.26 3.96 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.684 0.754 . . . . 0.0 111.152 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.525 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.76 -17.23 37.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.231 . . . . 0.0 112.362 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.614 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -108.47 -58.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 105.47 -3.85 40.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.745 ' HB3' HD12 ' A' ' 22' ' ' LEU . 27.3 tt0 -73.49 146.54 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.723 0.297 . . . . 0.0 110.953 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 29' ' ' ILE . 3.1 tp10 -109.06 144.53 36.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 28' ' ' GLU . 43.8 mt -141.22 132.34 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.8 t -110.83 122.27 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 2.6 tt -147.58 136.98 11.87 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.78 126.32 13.16 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 15.5 t80 -129.94 149.92 51.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.828 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -80.48 144.39 32.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG23 ' OD1' ' A' ' 36' ' ' ASP . 26.2 m -86.06 -11.79 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.462 ' OD1' HG23 ' A' ' 35' ' ' VAL . 5.8 m-20 -102.26 -24.66 13.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 38' ' ' ILE . 41.9 m -81.54 108.68 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.595 HD13 ' N ' ' A' ' 38' ' ' ILE . 0.2 OUTLIER -34.78 152.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.127 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.569 HD12 ' CD ' ' A' ' 70' ' ' GLU . 6.9 mt -66.06 -18.25 65.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -41.86 -41.49 2.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.593 ' HE1' HD11 ' A' ' 38' ' ' ILE . 51.3 m-85 -65.74 -55.89 14.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 16.5 tp -57.42 -16.47 9.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -82.8 -59.45 2.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.4 -41.1 62.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.443 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.6 t60 -47.74 -57.19 5.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -71.72 -41.83 68.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -50.67 -64.12 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.662 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.0 p-80 -53.51 -54.87 31.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.662 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.7 tm? -47.45 -61.03 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -56.28 -23.29 35.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.67 10.84 66.8 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.0 pt -117.21 152.21 48.76 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 148.54 65.33 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -71.37 -17.21 62.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 m -53.44 -55.84 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.609 HG21 ' HB2' ' A' ' 95' ' ' TYR . 28.8 m -74.09 -41.65 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 87' ' ' ILE . 6.0 tp -69.32 132.95 47.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -134.32 177.89 7.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 92.9 mt -131.99 148.22 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -130.43 128.42 41.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.63 ' HB3' HD11 ' A' ' 66' ' ' LEU . 56.4 t80 -146.09 139.91 26.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.1 t 56.15 27.49 11.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 68.03 17.5 69.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.525 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -127.45 136.68 52.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -69.03 105.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.63 HD11 ' HB3' ' A' ' 61' ' ' TYR . 42.9 mt -66.75 -177.93 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -130.91 -175.35 3.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.83 -33.94 8.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 1.9 t30 -91.08 -2.09 57.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.569 ' CD ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -79.81 -175.02 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 35' ' ' VAL . 0.6 OUTLIER -146.4 142.9 28.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' H ' HD22 ' A' ' 72' ' ' LEU . 3.0 mm? -57.26 -45.45 84.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 35' ' ' VAL . 16.9 m -56.98 -31.74 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.13 -22.35 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -93.49 -27.21 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 117.42 63.8 0.32 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.467 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.891 HG13 ' OE2' ' A' ' 81' ' ' GLU . 87.1 t -134.88 132.22 53.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -99.84 156.54 35.22 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.553 0.692 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 149.98 67.7 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.65 2.234 . . . . 0.0 112.376 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 63.23 37.95 10.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.891 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.2 pt-20 -118.4 165.74 13.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.487 ' CG2' ' HE2' ' A' ' 19' ' ' LYS . 60.9 mt -111.19 130.25 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.1 m -137.59 176.83 6.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -133.16 124.73 28.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 19' ' ' LYS . 18.5 m -130.78 149.91 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -116.36 139.48 50.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.48 HG23 HD11 ' A' ' 57' ' ' LEU . 19.1 mt -115.46 142.72 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.1 p90 -166.6 171.77 11.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.7 143.54 45.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.6 p -68.38 -33.93 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.48 ' ND2' HD12 ' A' ' 94' ' ' LEU . 5.7 t30 -131.36 86.49 50.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.719 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -10.54 28.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.311 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -75.33 -35.89 61.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.48 HD12 ' ND2' ' A' ' 91' ' ' ASN . 44.1 mt -93.57 -51.1 5.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.609 ' HB2' HG21 ' A' ' 56' ' ' VAL . 41.9 m-85 -127.9 82.65 67.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.714 0.769 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.34 66.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.351 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.414 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 58.9 t -95.73 143.19 12.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -133.44 165.91 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.38 154.39 40.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.518 HD13 HD12 ' A' ' 49' ' ' LEU . 4.8 mm -82.37 139.92 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -39.82 -56.15 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.846 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 104' ' ' THR . . . 105.73 48.02 1.06 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.495 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 103' ' ' LEU . 1.4 tt 37.63 31.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 102' ' ' GLY . 9.9 t -123.18 123.8 41.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -64.51 -56.28 15.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 106' ' ' VAL . 13.7 p -59.14 126.68 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -149.64 166.21 29.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -137.68 140.51 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 109' ' ' ILE . 2.8 pp -119.84 155.17 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.443 ' O ' HG23 ' A' ' 110' ' ' ILE . 3.1 tp -171.08 126.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 p -53.31 128.11 27.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.2 p -62.05 138.47 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.127 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.9 p -57.14 101.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 150.08 143.82 3.82 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 102.19 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.32 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 t -170.71 134.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -117.81 159.38 23.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.806 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 49.4 42.88 23.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.37 . . . . 0.0 110.821 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -130.17 165.08 23.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.72 154.36 22.49 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -89.88 -54.27 4.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -128.4 144.54 51.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.58 -167.35 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -85.62 -59.7 2.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 110.922 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -97.49 124.7 41.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.8 t -63.3 131.62 48.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 12' ' ' GLU . 95.7 t -121.93 -45.98 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.131 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 11' ' ' VAL . 7.0 pt-20 35.76 43.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -115.75 -59.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.4 m -60.16 -24.91 65.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.415 HD22 ' HB2' ' A' ' 32' ' ' PRO . 13.1 mt -59.75 151.86 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.71 145.3 46.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.07 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 m -73.41 90.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.3 t -97.85 107.6 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.524 ' O ' HG22 ' A' ' 85' ' ' VAL . 30.0 mtmm -82.65 146.89 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.58 147.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 87.8 t -134.66 131.39 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.745 HD13 HG21 ' A' ' 25' ' ' VAL . 77.1 mt -86.32 123.07 31.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -71.43 -58.11 4.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.636 0.731 . . . . 0.0 111.113 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.71 -18.23 37.33 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.745 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -107.43 -59.47 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 104.76 -3.15 41.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.451 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.541 ' HB3' HD12 ' A' ' 22' ' ' LEU . 13.9 tt0 -73.1 153.87 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.917 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -112.34 130.98 55.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -130.75 131.89 64.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 19' ' ' LYS . 74.7 t -112.0 128.33 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 tt -149.45 133.48 8.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.631 0.729 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.415 ' HB2' HD22 ' A' ' 15' ' ' LEU . 53.5 Cg_endo -69.76 116.66 4.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 9.5 t80 -116.54 153.73 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mmtm -81.83 132.14 35.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.0 m -77.33 -25.45 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -99.21 33.43 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.2 m -137.69 131.65 31.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.6 pt -46.79 145.67 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 67' ' ' LYS . 8.5 mt -61.27 -13.99 23.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -49.66 74.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -42.83 -59.92 1.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.14 -34.27 77.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -54.97 -73.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -44.81 -35.0 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -52.44 -55.95 18.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -72.84 -37.72 67.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.3 t -53.2 -66.33 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.8 p-80 -53.4 -55.01 28.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -46.7 -58.1 4.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.6 mt -57.0 -25.11 57.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.2 3.59 61.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.405 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 20.9 pt -117.39 151.73 48.43 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.617 0.723 . . . . 0.0 111.121 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.3 24.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.679 2.252 . . . . 0.0 112.354 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -87.93 -11.83 46.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.4 t -64.16 -16.95 62.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.549 HG11 ' CD1' ' A' ' 95' ' ' TYR . 19.5 m -114.87 -20.05 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.111 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.726 HD11 HG23 ' A' ' 87' ' ' ILE . 10.8 tp -90.33 147.07 23.72 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -146.2 174.93 10.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 24.4 mt -134.23 132.43 55.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 ttp180 -109.81 126.38 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.75 ' HB3' HD11 ' A' ' 66' ' ' LEU . 72.9 t80 -140.15 125.41 18.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 m 62.98 26.07 15.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.814 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.48 -7.56 61.09 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.8 pttt -113.8 142.05 46.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.726 0.298 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.7 mm -77.87 143.59 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.75 HD11 ' HB3' ' A' ' 61' ' ' TYR . 2.6 mt -116.04 140.48 49.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.583 ' O ' HD12 ' A' ' 39' ' ' LEU . 25.1 pttt -103.59 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 68' ' ' ASN . 7.1 p-10 -64.5 -62.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -40.87 -28.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -78.8 142.12 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -114.88 158.33 22.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.144 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.3 mm? -58.36 -45.67 87.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.09 -22.76 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -77.76 -21.01 52.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -96.71 -14.4 22.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.84 56.77 0.55 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.004 HG13 ' OE2' ' A' ' 81' ' ' GLU . 87.8 t -129.62 132.44 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.496 ' CD ' ' HD2' ' A' ' 79' ' ' PRO . 27.1 mmtt -106.27 160.8 24.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.546 0.688 . . . . 0.0 110.935 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.496 ' HD2' ' CD ' ' A' ' 78' ' ' LYS . 54.0 Cg_endo -69.75 150.52 68.4 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.656 2.237 . . . . 0.0 112.371 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 61.62 41.55 12.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 1.004 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.8 pt-20 -124.35 160.36 28.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 84.5 mt -109.35 131.25 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.12 178.53 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -140.75 121.33 14.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.524 HG22 ' O ' ' A' ' 19' ' ' LYS . 35.3 m -129.52 151.74 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.415 ' OE1' HD11 ' A' ' 23' ' ' ILE . 24.5 mt-10 -113.91 145.02 42.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.726 HG23 HD11 ' A' ' 57' ' ' LEU . 51.8 mt -121.92 142.65 37.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 6.1 p90 -166.67 159.9 14.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 t -108.34 139.44 43.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 64.3 p -70.09 -36.26 74.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.518 HD22 HD12 ' A' ' 94' ' ' LEU . 3.4 m120 -113.36 80.84 4.75 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.645 0.736 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -20.19 34.98 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.15 -33.7 56.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.518 HD12 HD22 ' A' ' 91' ' ' ASN . 22.2 mt -94.74 -44.56 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.549 ' CD1' HG11 ' A' ' 56' ' ' VAL . 19.5 m-85 -132.3 80.96 62.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.683 0.754 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.4 57.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.344 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 95.0 t -98.99 145.46 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -126.13 163.06 23.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.403 ' HB3' HG11 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -76.4 157.48 32.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.541 ' CD1' HD12 ' A' ' 49' ' ' LEU . 52.1 mt -135.09 124.08 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.173 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -60.38 140.03 57.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.79 -179.39 3.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.2 tp -132.07 -64.78 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.35 -43.79 72.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 74.03 54.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.84 154.95 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.2 t -156.81 165.11 37.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -152.58 169.74 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 19.0 tt -163.75 147.04 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 111' ' ' THR . 7.3 tp -156.28 149.38 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.458 ' N ' HG13 ' A' ' 110' ' ' ILE . 13.8 t -148.27 162.48 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.29 151.96 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 76.4 p -172.94 148.0 1.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -175.03 148.75 9.8 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -173.54 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.7 p -159.94 158.83 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.1 m -89.77 -61.57 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.511 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -97.39 117.78 32.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 41.11 42.5 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.19 129.2 2.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -117.4 153.8 32.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.382 . . . . 0.0 110.886 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.7 m -153.84 161.24 42.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.63 -170.86 30.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -99.79 -46.76 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -77.95 131.33 37.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 t -108.01 110.79 22.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 35.5 t -82.95 80.52 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' HA ' HD12 ' A' ' 15' ' ' LEU . 17.9 tt0 -76.38 65.42 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.41 -33.7 6.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.3 m -130.33 26.61 5.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 12' ' ' GLU . 20.2 mt -93.63 126.38 38.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.06 133.04 53.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.1 m -65.96 108.81 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.556 ' HA ' HG22 ' A' ' 83' ' ' VAL . 80.6 t -110.08 101.71 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.3 mttt -76.7 127.48 32.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.553 HG22 ' CG2' ' A' ' 85' ' ' VAL . 85.6 t -115.57 145.8 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.634 HG22 ' HG2' ' A' ' 28' ' ' GLU . 94.6 t -135.35 126.13 44.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.851 HD13 HG21 ' A' ' 25' ' ' VAL . 32.8 mt -75.63 128.14 34.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -70.63 -58.6 4.42 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 111.183 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' N ' HG22 ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.8 -37.48 9.03 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.627 2.218 . . . . 0.0 112.372 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.851 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -81.94 -40.17 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.37 4.25 88.98 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' NE2' ' HD3' ' A' ' 99' ' ' ARG . 5.0 tt0 -90.4 142.65 27.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.634 ' HG2' HG22 ' A' ' 21' ' ' VAL . 6.0 tm-20 -90.53 150.62 21.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 74.6 mt -145.36 126.59 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -109.53 120.19 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.3 tt -146.16 132.05 9.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.577 0.703 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 123.77 10.44 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 14.7 t80 -122.18 158.77 28.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mmtm -89.81 128.8 36.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.2 -28.82 20.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -86.87 14.45 7.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.4 m -124.08 134.91 53.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.2 pt -48.47 152.66 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD2' HD21 ' A' ' 72' ' ' LEU . 21.4 mt -66.62 -27.97 68.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 41' ' ' TYR . 0.5 OUTLIER -42.09 -61.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 40' ' ' LYS . 13.4 m-85 -36.08 -60.26 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.7 tp -55.72 -40.74 72.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 40' ' ' LYS . 26.0 ttmt -60.17 -45.84 91.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -59.02 -54.57 45.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.6 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 4.9 t60 -38.58 -32.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -88.79 -43.74 11.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.3 p -48.71 -47.75 40.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.656 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 5.1 p-80 -67.2 -54.85 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.656 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.2 tm? -50.83 -61.23 2.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.0 mt -62.32 -22.21 65.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.81 -16.42 58.34 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.5 pt -89.98 149.86 42.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 111.099 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 163.34 38.66 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -78.19 -18.75 55.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.2 t -53.06 -54.42 35.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 57' ' ' LEU . 27.3 m -75.85 -43.09 39.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.627 ' CD1' HG23 ' A' ' 87' ' ' ILE . 4.3 tp -65.44 134.57 53.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.496 ' N ' HD12 ' A' ' 57' ' ' LEU . 15.3 mm-40 -136.27 169.94 16.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.0 mt -129.61 137.95 55.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 45.6 ttm-85 -118.36 126.5 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.472 ' CB ' HD11 ' A' ' 66' ' ' LEU . 57.8 t80 -133.38 135.62 44.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.7 t 54.99 28.52 10.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.59 13.73 83.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -118.57 171.53 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.2 mm -109.87 102.88 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.1 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.472 HD11 ' CB ' ' A' ' 61' ' ' TYR . 20.3 mt -73.09 168.65 18.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -126.59 175.33 8.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -72.54 -58.16 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -53.53 -34.01 56.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.31 174.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 m -150.72 150.76 31.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD21 ' CD2' ' A' ' 39' ' ' LEU . 3.7 mm? -60.4 -47.0 87.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.9 m -62.7 -18.5 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -83.79 -19.01 35.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -97.49 -14.43 21.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.71 54.34 0.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.5 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.841 HG13 ' OE2' ' A' ' 81' ' ' GLU . 76.0 t -124.79 131.99 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -100.06 156.62 35.09 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 146.43 60.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.734 2.29 . . . . 0.0 112.356 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 66.77 38.73 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.841 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.7 pt-20 -120.39 171.41 8.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.11 133.1 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 18' ' ' VAL . 18.1 m -137.26 178.09 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -141.13 117.47 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.553 ' CG2' HG22 ' A' ' 20' ' ' VAL . 30.8 m -122.88 170.77 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -133.43 146.0 50.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.627 HG23 ' CD1' ' A' ' 57' ' ' LEU . 42.7 mt -124.02 134.47 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 8.9 p90 -161.47 154.98 21.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -103.63 132.83 49.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.8 p -65.2 -37.48 87.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -109.38 79.42 1.27 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.73 34.33 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -76.91 -34.56 57.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.7 mt -92.29 -45.78 8.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -129.97 78.7 74.45 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.667 0.746 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.81 41.0 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.429 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 5.2 t -83.15 134.82 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -119.55 165.39 14.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.556 ' HG2' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -63.09 132.09 50.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.486 ' N ' ' HD2' ' A' ' 99' ' ' ARG . 25.6 mm -54.77 116.85 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -91.95 -176.28 4.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.52 -93.32 1.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.472 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.61 108.38 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.911 0.386 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 t -76.05 157.38 33.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.56 -177.96 2.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.6 p -93.77 138.11 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 m -88.49 -53.58 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -157.51 150.78 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.9 pt -126.29 155.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 14.2 tt -159.79 151.14 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 112' ' ' VAL . 24.9 m -121.24 155.33 34.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.407 ' N ' HG22 ' A' ' 111' ' ' THR . 10.5 p -128.72 144.59 37.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 21.9 p -128.33 170.04 13.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 179.0 146.26 6.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.538 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -173.8 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 76.6 p -164.0 168.53 19.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 118' ' ' GLY . 61.4 m -136.47 175.84 9.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 117' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -128.59 146.58 50.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.815 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.4 m -127.03 151.74 48.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.64 65.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -66.38 130.09 42.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.879 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m -83.84 134.89 34.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.39 133.98 1.93 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -104.45 -59.68 1.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.742 0.305 . . . . 0.0 110.878 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 10' ' ' SER . 35.6 tt0 -124.39 160.68 27.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 9' ' ' GLU . 16.7 m -87.84 175.94 7.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.4 t -129.38 119.9 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -84.18 88.66 7.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -159.6 137.07 9.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 m 41.31 53.7 3.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -97.66 127.37 43.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.46 147.59 44.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -79.65 110.36 14.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 83' ' ' VAL . 53.6 t -111.3 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 85' ' ' VAL . 50.8 mtmt -71.68 137.61 47.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.487 ' CG1' HD12 ' A' ' 87' ' ' ILE . 87.0 t -115.8 137.23 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.0 t -131.96 126.74 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 25' ' ' VAL . 51.8 mt -79.87 127.04 31.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -70.86 -58.79 4.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.607 0.717 . . . . 0.0 111.136 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.535 ' N ' HG22 ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.72 -34.44 14.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.64 2.227 . . . . 0.0 112.387 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.749 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -86.06 -54.7 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.01 10.7 60.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.418 ' HB3' HD12 ' A' ' 22' ' ' LEU . 6.1 tt0 -88.38 143.37 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.3 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -92.35 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mt -143.36 132.22 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -111.38 129.55 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 8.1 tt -150.85 136.06 10.24 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.647 0.737 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.6 Cg_endo -69.73 152.53 69.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 2.8 t80 -157.89 152.21 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 124.14 33.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.16 -17.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -12.79 26.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.2 m -94.5 130.05 41.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.4 pt -48.02 165.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 67' ' ' LYS . 9.4 mt -76.1 -32.38 59.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' TYR . 1.6 tmtp? -39.39 -59.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.2 m-85 -35.96 -63.76 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 17.6 tp -55.32 -42.98 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -46.04 -61.67 1.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -46.37 -44.35 16.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.529 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.4 t60 -41.63 -61.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -69.79 -54.8 11.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.401 ' OG ' HD23 ' A' ' 57' ' ' LEU . 0.9 OUTLIER -45.28 -67.81 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.699 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.3 p-80 -45.97 -55.0 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.699 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 2.3 tm? -49.2 -62.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.8 mt -58.16 -25.66 61.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.83 -13.33 62.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.481 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 13.2 pt -87.79 148.11 42.87 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.111 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 155.26 66.31 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -71.87 -5.19 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 p -68.18 -59.28 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.532 HG11 HD21 ' A' ' 91' ' ' ASN . 4.0 m -67.99 -28.57 41.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD11 HG23 ' A' ' 87' ' ' ILE . 6.2 tp -82.04 144.21 31.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' H ' HD12 ' A' ' 57' ' ' LEU . 11.0 mt-30 -145.18 175.45 10.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.13 131.7 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -113.42 125.37 54.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.754 ' HB3' HD11 ' A' ' 66' ' ' LEU . 80.1 t80 -140.68 130.3 24.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t 63.4 26.86 15.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.43 -1.4 76.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.454 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.1 146.38 44.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.3 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.2 mm -79.54 126.07 38.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.754 HD11 ' HB3' ' A' ' 61' ' ' TYR . 17.3 mt -91.31 130.69 37.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.505 ' O ' HD12 ' A' ' 39' ' ' LEU . 20.0 tptm -78.91 159.01 27.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -67.47 -38.18 84.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -80.39 -4.08 52.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 3.7 mm-40 -84.43 134.5 34.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.3 m -99.03 150.09 22.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.5 mm? -56.08 -57.47 12.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.3 m -44.04 -46.49 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -51.9 -37.08 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -79.78 -18.75 50.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.83 63.75 0.63 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.783 HG13 ' OE2' ' A' ' 81' ' ' GLU . 79.1 t -131.84 124.2 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.9 0.381 . . . . 0.0 111.079 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -91.56 158.05 41.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.566 0.698 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 151.86 69.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.298 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 60.18 43.06 14.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.783 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.3 pt-20 -122.81 166.82 14.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 63.2 mt -113.29 126.84 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.148 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 18' ' ' VAL . 18.5 m -130.45 -175.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -150.18 118.83 6.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 19' ' ' LYS . 33.7 m -120.79 168.16 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -129.08 133.67 47.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.566 HG23 HD11 ' A' ' 57' ' ' LEU . 62.4 mt -112.79 128.84 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.15 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 10.3 p90 -150.82 163.08 39.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -108.7 136.76 47.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.437 ' CG2' ' OE1' ' A' ' 58' ' ' GLN . 69.3 p -64.32 -37.73 88.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.617 HD22 HD12 ' A' ' 94' ' ' LEU . 52.8 p-10 -122.83 87.01 50.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -11.68 31.32 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -81.81 -28.6 33.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.617 HD12 HD22 ' A' ' 91' ' ' ASN . 37.8 mt -98.42 -49.1 4.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.472 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 26.8 m-85 -131.83 82.42 60.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.717 0.77 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 151.33 68.65 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.423 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 24.3 t -93.39 114.74 30.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -98.89 167.38 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 -79.33 169.32 18.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.9 mt -140.72 123.04 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -66.68 -47.52 72.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 40.76 -113.86 0.48 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 103' ' ' LEU . 11.5 tp -86.85 121.34 29.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.6 m -40.93 132.23 2.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -54.73 151.89 7.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 75.5 t -63.38 115.06 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.1 m -162.15 176.9 10.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.807 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -109.39 100.87 9.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.475 HD12 ' C ' ' A' ' 109' ' ' ILE . 2.7 pp -118.16 157.28 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 111' ' ' THR . 9.0 tt -170.34 145.59 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' ILE . 8.1 t -36.17 136.43 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 4.2 p -39.61 137.48 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 70.8 p -153.7 160.61 42.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.97 179.97 1.0 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 110.49 2.57 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.2 p -158.58 174.45 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.9 m -93.34 136.57 33.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -120.19 138.9 53.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 m -80.73 137.66 36.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.806 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.73 160.65 22.47 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -135.92 144.39 45.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.1 p -161.6 -176.18 5.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.54 136.46 9.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 mp0 -121.96 175.83 6.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -78.67 137.38 37.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 m -47.14 135.87 9.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.9 t -99.99 -55.45 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.177 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 44.45 42.74 5.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -120.47 -37.34 3.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -129.74 47.54 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.517 HD23 ' C ' ' A' ' 33' ' ' PHE . 12.9 mt -105.88 126.46 52.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.534 ' HB2' ' HA ' ' A' ' 79' ' ' PRO . . . -107.49 140.16 40.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.3 m -69.18 112.12 5.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.04 100.61 11.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.063 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -79.4 122.39 26.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.532 HG11 HD12 ' A' ' 87' ' ' ILE . 97.9 t -103.83 136.37 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.9 t -125.97 128.08 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.836 HD13 HG21 ' A' ' 25' ' ' VAL . 26.4 mt -77.06 127.26 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -71.99 -58.36 3.4 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.8 -27.67 26.0 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.73 2.287 . . . . 0.0 112.29 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.836 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -94.79 -53.59 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.06 62.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.406 ' HB3' HD12 ' A' ' 22' ' ' LEU . 17.7 tt0 -75.47 151.91 37.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.765 0.317 . . . . 0.0 110.889 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -105.15 136.27 44.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mt -133.3 126.86 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.64 120.48 60.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 1.5 tt -141.81 136.89 15.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.457 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 54.2 Cg_endo -69.76 122.87 9.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.73 2.287 . . . . 0.0 112.333 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 3.2 t80 -131.46 154.21 48.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.38 150.49 20.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' O ' HG22 ' A' ' 73' ' ' VAL . 24.2 m -89.06 -14.54 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.54 -31.92 24.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.7 m -83.26 139.11 33.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.472 ' HA ' HG23 ' A' ' 71' ' ' THR . 7.9 pt -53.14 176.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' CD2' HD21 ' A' ' 72' ' ' LEU . 17.2 mt -86.22 -13.27 47.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.953 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' TYR . 31.0 ttpt -63.08 -54.91 30.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 5.4 m-85 -36.03 -53.48 0.77 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 18.8 tp -65.09 -40.89 95.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 40' ' ' LYS . 16.9 ttmt -50.35 -48.59 55.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -55.7 -45.5 77.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.596 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 2.4 t60 -44.72 -36.33 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' SER . 40.1 m-85 -90.71 -54.52 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 46' ' ' PHE . 23.1 p -37.13 -41.09 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.653 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.3 p-80 -77.15 -54.73 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.653 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -53.37 -62.59 1.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.53 -24.0 18.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.34 34.13 30.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 41.0 pt -138.68 150.88 67.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.91 22.28 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.721 2.28 . . . . 0.0 112.36 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.0 p80 -56.52 -13.47 2.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.3 p -57.42 -57.77 11.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.5 m -72.06 -29.5 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.719 HD11 HG23 ' A' ' 87' ' ' ILE . 9.3 tp -79.37 135.44 36.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -138.49 163.77 31.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.2 mt -121.67 134.12 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -112.96 128.92 56.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -129.73 128.54 42.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 t 58.3 24.96 12.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.61 -12.49 65.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -93.2 164.37 13.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.727 0.299 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.8 mm -103.65 107.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 66' ' ' LEU . 4.8 mt -76.14 176.07 8.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -129.72 167.32 18.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.61 -26.87 68.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -84.78 -25.63 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -62.16 128.81 37.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 38' ' ' ILE . 1.1 m -103.63 150.47 23.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.55 HD21 ' CD2' ' A' ' 39' ' ' LEU . 4.3 mm? -54.2 -47.55 71.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 35' ' ' VAL . 2.6 m -66.77 -28.92 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -65.82 -27.37 68.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.9 m-70 -92.91 -18.31 22.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.64 56.55 0.6 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.69 HG13 ' OE2' ' A' ' 81' ' ' GLU . 89.6 t -124.11 121.37 61.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 111.144 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.49 156.74 38.23 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.569 0.7 . . . . 0.0 110.903 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.534 ' HA ' ' HB2' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.8 158.41 57.0 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.299 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 63.77 27.19 14.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.69 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.4 pt-20 -115.01 168.99 9.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 59.8 mt -120.26 132.86 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.4 m -134.4 -179.6 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -141.88 117.24 10.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 22.6 m -123.5 157.61 29.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -121.36 140.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.719 HG23 HD11 ' A' ' 57' ' ' LEU . 37.0 mt -117.91 134.35 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.4 p90 -153.05 167.63 28.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -111.2 127.0 55.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 73.2 p -54.66 -41.29 69.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -124.87 86.33 56.43 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -12.76 33.56 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.302 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.96 -26.94 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.808 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.0 mt -102.55 -48.27 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.423 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 47.6 m-85 -131.92 80.87 64.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 158.41 57.13 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.7 118.34 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -105.74 149.46 26.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.438 ' HG3' HG11 ' A' ' 25' ' ' VAL . 18.7 ttp180 -59.02 162.87 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.7 mt -129.43 119.44 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -49.61 138.8 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 169.86 -177.33 43.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.8 tp -169.07 120.03 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.2 p -123.22 141.08 52.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.72 93.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.83 -179.96 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.5 m -149.42 113.07 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -142.52 177.59 8.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 109' ' ' ILE . 6.0 tp -171.87 125.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.51 ' O ' HG23 ' A' ' 110' ' ' ILE . 8.6 tp -170.58 124.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 111' ' ' THR . 10.5 t -134.37 126.63 30.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.5 p -143.89 147.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 t -167.19 109.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -138.46 85.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.65 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -145.05 174.48 11.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.8 p -129.04 -176.43 3.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -159.79 173.72 15.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -80.77 57.82 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.36 -130.79 2.53 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -161.16 169.41 22.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.931 0.396 . . . . 0.0 110.806 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -168.0 157.48 9.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.64 145.54 17.74 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.446 ' O ' ' C ' ' A' ' 9' ' ' GLU . 75.4 mt-30 -132.8 165.28 24.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.758 0.313 . . . . 0.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 8' ' ' GLN . 1.7 mp0 -34.77 138.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 m -75.51 98.83 4.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.7 t -114.27 111.82 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -120.16 68.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -126.02 -42.99 1.84 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -106.14 20.57 18.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.4 mt -86.65 124.51 33.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.75 137.12 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.9 m -70.53 104.38 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.9 t -106.65 109.23 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -79.97 127.81 32.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.414 ' CG1' HD12 ' A' ' 87' ' ' ILE . 59.4 t -111.34 131.21 63.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.413 HG22 ' HG2' ' A' ' 28' ' ' GLU . 43.3 t -128.79 130.93 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 25' ' ' VAL . 32.3 mt -80.6 128.2 33.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -70.83 -58.48 4.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.529 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -34.88 13.6 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.738 2.292 . . . . 0.0 112.294 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.749 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -85.72 -45.19 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.19 0.57 86.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.43 ' HB3' HD12 ' A' ' 22' ' ' LEU . 14.3 tt0 -77.64 151.6 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.912 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.413 ' HG2' HG22 ' A' ' 21' ' ' VAL . 26.9 mt-10 -105.03 144.56 31.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.3 mt -142.11 147.01 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.2 t -124.46 125.14 69.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.5 tt -153.99 130.12 5.46 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 136.8 33.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.623 2.215 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 16.4 t80 -133.97 149.62 51.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -78.9 139.2 38.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.916 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.699 ' O ' HG13 ' A' ' 73' ' ' VAL . 15.2 m -87.6 -5.76 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.137 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -111.27 5.85 20.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.1 m -113.13 128.93 56.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.416 HD12 ' HB2' ' A' ' 40' ' ' LYS . 36.8 pt -41.44 156.67 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 67' ' ' LYS . 16.2 mt -68.88 -26.04 64.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' HB2' HD12 ' A' ' 38' ' ' ILE . 18.3 ttpt -43.87 -54.64 5.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -38.13 -66.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.573 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.7 tp -58.21 -37.26 74.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.6 ttmt -54.74 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -55.96 -42.99 77.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.593 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 3.0 t60 -39.06 -45.96 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 28.1 m-85 -82.09 -62.67 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.649 ' OG ' HD23 ' A' ' 57' ' ' LEU . 1.5 m -35.57 -61.93 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.687 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 2.4 p-80 -52.61 -54.46 32.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.687 ' N ' ' CD2' ' A' ' 48' ' ' HIS . 1.7 tm? -51.33 -62.78 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 100' ' ' ILE . 14.3 mt -57.42 -16.97 10.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.57 -26.46 13.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 23.6 pt -77.02 150.92 81.52 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.608 0.718 . . . . 0.0 111.173 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.547 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 53.4 Cg_endo -69.73 155.56 65.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.328 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -77.61 -16.82 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -52.62 -58.21 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.1 m -70.0 -45.11 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.649 HD23 ' OG ' ' A' ' 47' ' ' SER . 4.9 tp -64.93 139.54 58.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -142.0 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.65 137.75 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -117.28 136.35 53.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.604 ' HB3' HD11 ' A' ' 66' ' ' LEU . 74.9 t80 -154.39 135.4 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.1 m 59.57 26.04 15.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.05 11.62 70.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.07 149.6 45.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 mm -85.77 121.8 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.604 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.9 mt -90.26 165.77 13.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.591 ' O ' HD12 ' A' ' 39' ' ' LEU . 34.1 mttm -117.81 173.63 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -70.06 -68.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -49.49 -18.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -74.96 132.32 41.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -102.33 166.05 10.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' H ' HG22 ' A' ' 71' ' ' THR . 3.9 mm? -69.12 -45.44 70.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 35' ' ' VAL . 8.8 m -58.17 -23.91 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -74.4 -34.68 63.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.82 -9.84 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.43 61.4 0.77 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.481 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.756 HG13 ' OE2' ' A' ' 81' ' ' GLU . 73.4 t -129.78 129.11 66.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 111.146 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -97.38 158.25 33.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.549 0.69 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.04 66.37 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 61.52 43.28 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.756 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.26 161.34 23.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.6 mt -110.61 129.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.2 m -134.51 -178.7 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -140.47 121.31 14.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 16.3 m -127.75 156.29 39.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -118.42 149.86 40.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.466 HG23 ' CD1' ' A' ' 57' ' ' LEU . 43.8 mt -124.83 140.89 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -164.07 157.45 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 t -101.28 130.13 47.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 56' ' ' VAL . 43.6 p -56.26 -37.29 69.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.76 HD22 HD12 ' A' ' 94' ' ' LEU . 52.1 p-10 -126.52 90.6 49.47 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.578 0.704 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 91' ' ' ASN . 54.2 Cg_endo -69.72 -25.07 29.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -69.39 -29.4 67.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.76 HD12 HD22 ' A' ' 91' ' ' ASN . 36.6 mt -96.84 -48.46 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.547 ' CD2' ' HD2' ' A' ' 53' ' ' PRO . 33.1 m-85 -132.22 81.71 60.45 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.698 0.761 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 148.18 64.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 23.4 t -90.4 133.53 31.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.7 ptt85 -117.34 178.41 4.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -76.82 167.45 21.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 50' ' ' LEU . 63.7 mt -141.38 135.9 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -76.57 88.73 3.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -101.14 -105.43 2.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.3 tt -73.83 114.52 12.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.868 0.366 . . . . 0.0 110.966 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 85.9 m -105.61 110.86 23.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.35 -52.66 4.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.8 m -91.5 174.42 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 99.0 p -130.15 144.15 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -118.74 176.57 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.4 pt -114.74 -9.65 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 11.1 tt -68.21 154.26 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.8 t -52.0 139.77 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.1 t -130.33 132.98 64.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 75.7 m -123.66 156.41 35.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -173.86 154.58 19.99 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 170.61 16.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.689 2.259 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 56.4 p -170.96 171.89 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.7 m -106.03 176.61 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.483 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 p -76.36 -46.48 27.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.824 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 m 62.62 40.04 10.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.88 158.69 48.69 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.474 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.4 m -141.15 150.33 42.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -163.62 137.82 5.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.58 62.5 6.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -97.88 122.48 41.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.766 0.317 . . . . 0.0 110.925 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.06 162.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.3 m -158.12 137.56 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.9 t -139.58 127.66 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.706 ' HA ' HD12 ' A' ' 15' ' ' LEU . 7.1 pt-20 -91.21 58.41 3.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -95.54 -48.71 5.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 m -124.6 50.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 12' ' ' GLU . 15.4 mt -91.48 127.08 36.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.406 ' HB1' ' HG2' ' A' ' 81' ' ' GLU . . . -114.5 143.03 45.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.3 m -77.14 110.72 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.8 t -110.27 110.59 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 85' ' ' VAL . 2.4 mtpm? -82.01 128.49 34.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.24 133.22 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.7 t -126.73 126.17 68.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.864 HD13 HG21 ' A' ' 25' ' ' VAL . 28.9 mt -74.41 126.93 31.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.526 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.2 mm -70.55 -58.2 4.85 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 111.185 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.77 -37.58 8.95 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.676 2.251 . . . . 0.0 112.371 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.864 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -81.77 -53.91 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.98 6.07 59.34 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.488 ' HB3' HD12 ' A' ' 22' ' ' LEU . 12.2 tt0 -84.37 161.86 20.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.406 ' N ' ' HG2' ' A' ' 27' ' ' GLN . 14.5 mt-10 -115.35 141.85 47.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.1 mt -142.9 128.89 17.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.6 t -106.0 121.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.8 tt -144.06 132.58 11.07 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.48 40.3 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.1 t80 -142.45 134.71 27.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -70.72 140.2 51.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.08 -37.25 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -86.45 33.57 0.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.2 m -135.79 143.73 45.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.2 pt -56.36 172.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 40' ' ' LYS . 7.9 mt -88.42 -33.53 17.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -36.03 -58.63 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.821 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 40' ' ' LYS . 11.7 m-85 -36.48 -56.13 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.96 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 16.2 tp -66.26 -35.21 79.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 40' ' ' LYS . 13.7 ttmt -59.33 -61.33 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 45' ' ' HIS . 1.7 m-20 -51.8 -47.54 64.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 44' ' ' ASP . 4.0 t60 -34.73 -43.7 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' SER . 33.0 m-85 -91.12 -54.12 4.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' PHE . 32.5 t -36.5 -52.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.668 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.6 p80 -67.49 -54.9 16.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.668 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -48.18 -62.52 1.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.6 mt -53.22 -23.12 7.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.0 18.13 60.04 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.3 pt -121.56 152.56 58.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.634 0.731 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 145.84 58.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -76.7 -13.86 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.6 p -57.5 -21.13 35.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 33.9 m -110.55 -31.46 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.494 HD11 HG23 ' A' ' 87' ' ' ILE . 5.9 tp -77.34 133.57 38.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -141.56 170.06 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.3 mt -120.93 148.06 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.869 HH21 HD11 ' A' ' 65' ' ' ILE . 14.6 ttm180 -124.52 125.21 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -140.83 136.23 32.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 t 56.09 25.18 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.838 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.89 8.78 78.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.46 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.81 153.99 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.726 0.298 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.869 HD11 HH21 ' A' ' 60' ' ' ARG . 48.1 mm -90.95 116.12 31.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 mt -77.91 165.62 23.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' GLU . 48.8 mttt -124.87 127.99 47.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.9 p-10 -38.32 -65.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.9 -29.42 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' LYS . 9.0 tt0 -62.91 172.84 1.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.17 155.39 50.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -66.49 -37.83 85.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.3 m -65.61 -24.11 33.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -76.89 -25.17 52.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.447 ' NE2' ' CD ' ' A' ' 70' ' ' GLU . 85.1 m-70 -88.82 -31.84 18.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.37 57.67 0.19 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.841 HG13 ' OE2' ' A' ' 81' ' ' GLU . 35.4 t -124.14 139.87 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 111.168 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -109.49 157.02 38.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.47 47.99 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.656 2.237 . . . . 0.0 112.364 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 65.66 47.32 2.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.841 ' OE2' HG13 ' A' ' 77' ' ' VAL . 9.4 pt-20 -122.83 178.2 5.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.3 mt -127.54 129.56 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.0 m -134.77 178.89 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -138.32 121.86 17.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 19' ' ' LYS . 35.0 m -128.37 167.02 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -133.91 129.27 36.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 57' ' ' LEU . 16.1 mt -101.01 145.72 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.194 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -166.75 171.71 11.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.8 t -113.59 138.65 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.6 p -71.42 -34.94 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.765 HD22 HD12 ' A' ' 94' ' ' LEU . 16.1 t30 -126.46 82.73 65.84 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -10.6 28.95 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.34 -29.25 57.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.765 HD12 HD22 ' A' ' 91' ' ' ASN . 26.4 mt -98.21 -50.78 4.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -133.59 78.7 61.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.689 0.757 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 149.1 66.56 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 6.2 t -85.71 133.66 29.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.156 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -130.79 147.39 52.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.647 ' HG2' HG11 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -55.03 133.51 48.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.55 HG12 HD12 ' A' ' 49' ' ' LEU . 77.6 mt -74.09 106.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' GLY . 0.8 OUTLIER -78.34 -43.98 26.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' ASP . . . -35.25 -52.99 0.96 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 13.7 mt -38.86 135.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 40.4 p -65.25 -28.69 69.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -64.89 109.53 2.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.811 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.0 m -100.36 166.44 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -131.49 162.96 29.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -101.23 34.32 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 13.4 tt -140.48 142.08 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.824 HD13 ' N ' ' A' ' 111' ' ' THR . 0.2 OUTLIER -163.29 129.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.824 ' N ' HD13 ' A' ' 110' ' ' ILE . 62.9 p -75.49 94.88 3.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.6 m -80.09 168.43 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.9 t -130.17 166.76 19.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -99.56 -158.07 28.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.475 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -176.99 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.719 2.279 . . . . 0.0 112.341 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 t -141.94 177.59 8.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 19.2 m -45.2 120.45 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -113.51 -48.54 2.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.819 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -55.65 133.57 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.72 -168.65 12.35 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -156.73 140.27 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 110.916 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.9 p -116.57 132.61 56.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.08 154.03 22.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -66.86 165.81 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.75 0.309 . . . . 0.0 110.936 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -90.37 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.6 p -71.46 -36.26 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.3 t -85.99 110.06 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -111.49 116.62 31.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -159.3 118.22 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.7 m 59.96 40.01 19.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -75.89 139.77 41.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.03 136.79 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.0 m -67.98 112.23 4.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.7 t -113.6 111.54 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 85' ' ' VAL . 51.0 mtmt -88.3 130.43 35.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.56 HG11 HD12 ' A' ' 87' ' ' ILE . 85.8 t -108.03 137.35 39.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.5 t -128.82 127.16 66.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.876 HD13 HG21 ' A' ' 25' ' ' VAL . 24.4 mt -81.46 128.11 33.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.523 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.3 mm -72.21 -58.29 3.26 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.641 0.734 . . . . 0.0 111.145 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 54.5 Cg_endo -69.71 -18.18 37.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.374 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.876 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -106.4 -56.57 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 95.97 1.27 61.51 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -78.06 139.87 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -93.18 135.83 34.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.4 mt -133.77 134.12 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.08 127.55 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.3 tt -148.06 128.37 6.77 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 125.24 11.89 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.518 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.3 t80 -138.59 147.52 43.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -77.57 165.13 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.585 ' O ' HG13 ' A' ' 73' ' ' VAL . 30.5 m -101.18 -15.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.163 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -108.66 30.49 6.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.1 m -134.82 136.61 42.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.742 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.8 pp -52.43 164.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 42' ' ' LEU . 12.1 mt -88.84 -28.07 20.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HB3' HD13 ' A' ' 38' ' ' ILE . 23.6 ttpt -36.35 -34.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.742 ' CD2' HD11 ' A' ' 38' ' ' ILE . 30.0 m-85 -68.59 -45.26 72.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 18.6 tp -73.0 -21.3 60.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -80.94 -48.22 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -58.82 -25.7 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.427 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.9 t60 -68.41 -48.94 63.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -73.85 -38.38 64.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -55.2 -64.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.654 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -50.53 -54.79 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.654 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -51.52 -61.09 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.3 mt -54.92 -29.71 56.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.86 -19.1 54.71 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.462 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 32.8 pt -93.98 152.09 40.23 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.691 0.758 . . . . 0.0 111.133 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 153.81 68.5 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.728 2.285 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -75.62 -22.65 56.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.8 t -44.66 -47.36 10.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 57' ' ' LEU . 35.3 m -84.35 -42.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.645 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.0 tp -66.38 133.08 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -135.07 175.74 9.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.7 mt -130.56 127.89 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -111.8 123.55 50.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.449 ' CB ' HD11 ' A' ' 66' ' ' LEU . 44.8 t80 -129.32 126.64 39.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.977 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 t 55.28 33.6 21.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.87 -3.22 76.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -95.16 167.24 11.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -113.47 89.07 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 75' ' ' HIS . 19.0 mt -62.94 134.13 55.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' O ' HD12 ' A' ' 39' ' ' LEU . 52.8 mttp -101.89 177.68 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -73.87 -52.1 14.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -68.95 -8.64 46.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 67' ' ' LYS . 20.5 mm-40 -76.07 170.52 16.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -138.24 146.87 43.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 72' ' ' LEU . 3.1 mm? -57.6 -55.17 38.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.6 m -49.97 -38.6 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.7 mm-40 -62.41 -31.26 71.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.464 ' CD2' HD22 ' A' ' 66' ' ' LEU . 21.7 m-70 -85.6 -16.1 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.23 62.61 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.023 HG13 ' OE2' ' A' ' 81' ' ' GLU . 55.8 t -132.33 130.32 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.906 0.384 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.0 mttm -98.73 158.51 32.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 147.36 62.88 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.697 2.265 . . . . 0.0 112.383 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 62.01 39.63 13.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 1.023 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.9 pt-20 -122.51 160.21 26.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 88.4 mt -106.26 138.43 31.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.7 m -138.49 -177.24 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.17 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -145.45 114.62 7.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 19' ' ' LYS . 19.8 m -118.5 166.55 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -128.71 142.65 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.645 HG23 ' CD1' ' A' ' 57' ' ' LEU . 35.1 mt -119.2 132.41 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.4 p90 -155.92 163.49 39.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.1 t -110.53 123.56 50.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 82.2 p -56.79 -34.91 68.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -114.85 79.43 5.89 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -19.47 36.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.349 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -77.94 -34.51 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.9 mt -93.26 -46.96 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 39.5 m-85 -132.78 78.08 67.3 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.697 0.76 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.52 66.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.482 HG11 HD22 ' A' ' 22' ' ' LEU . 49.6 t -83.2 155.98 3.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.454 ' N ' HG12 ' A' ' 97' ' ' VAL . 10.1 ptp180 -145.15 145.31 31.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.89 171.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 60.8 mt -132.55 129.94 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -85.74 140.23 30.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 125.16 68.64 0.19 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.442 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 14.2 tp -164.95 158.89 17.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.1 m -46.71 106.71 0.09 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' VAL . 10.0 t0 -175.0 165.78 3.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 105' ' ' ASP . 32.6 m -34.05 126.99 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.3 p -134.77 -176.9 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -116.64 159.04 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 14.5 pt -101.61 152.08 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.415 ' O ' HG12 ' A' ' 112' ' ' VAL . 14.1 tt -175.0 166.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.088 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.1 p -43.7 97.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 110' ' ' ILE . 11.1 p -150.43 129.89 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 53.7 p -65.67 166.29 11.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 86.38 68.27 1.35 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -35.2 12.92 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.682 2.254 . . . . 0.0 112.381 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.2 t -67.79 170.24 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.1 t -173.97 127.6 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.471 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -169.54 148.59 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 m -155.02 164.99 38.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.813 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.67 163.25 36.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 p -164.55 113.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.828 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -148.84 139.29 22.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.88 -113.15 0.39 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -74.72 97.22 3.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.762 0.315 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -78.05 -60.01 2.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t 64.19 35.0 10.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.3 t -93.36 -64.6 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 69.96 49.2 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -137.29 114.71 11.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 m 59.63 50.99 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 15' ' ' LEU . 14.3 mt -92.3 132.36 36.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -120.34 129.99 54.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.6 m -68.36 106.54 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.53 108.37 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -80.08 130.32 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.7 t -106.59 141.38 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.1 t -135.23 128.12 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.926 HD13 HG21 ' A' ' 25' ' ' VAL . 28.8 mt -82.83 130.36 35.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.521 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -70.9 -58.51 4.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.718 . . . . 0.0 111.142 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.521 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.84 -36.49 10.51 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.295 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.926 HG21 HD13 ' A' ' 22' ' ' LEU . 2.8 t -83.45 -44.71 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.23 1.13 90.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -76.11 169.13 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -121.03 134.0 55.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.1 mt -135.04 129.11 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -106.3 127.1 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.511 HD13 HD11 ' A' ' 42' ' ' LEU . 4.8 tt -150.79 131.53 7.24 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.598 0.713 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 144.0 52.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 4.0 t80 -146.22 149.57 34.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.18 117.51 22.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 73' ' ' VAL . 35.5 m -53.99 -25.19 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -83.43 -40.09 19.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 74.6 m -65.08 125.96 26.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 29.7 pt -46.58 173.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.441 HD11 HD13 ' A' ' 66' ' ' LEU . 14.2 mt -79.5 -33.19 42.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.45 ' HZ1' ' CE1' ' A' ' 54' ' ' HIS . 16.4 tptp -43.88 -57.82 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.2 m-85 -36.1 -55.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 15.9 tp -65.96 -39.34 90.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -47.18 -52.89 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -58.19 -41.64 84.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -42.63 -38.64 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 47' ' ' SER . 21.6 m-85 -92.75 -55.03 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.442 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 8.8 p -34.31 -60.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.641 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.5 p80 -56.63 -54.25 48.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.641 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.19 -60.73 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.593 HD13 HG13 ' A' ' 97' ' ' VAL . 72.4 mt -59.16 -31.05 68.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 87.51 38.97 7.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.3 pt -140.99 153.05 66.84 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.592 0.71 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.719 ' O ' HG22 ' A' ' 56' ' ' VAL . 53.4 Cg_endo -69.73 106.43 1.66 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.625 2.216 . . . . 0.0 112.343 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.45 ' CE1' ' HZ1' ' A' ' 40' ' ' LYS . 19.2 p80 -36.62 -32.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' PRO . 78.4 p -41.1 -44.92 2.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 53' ' ' PRO . 13.0 m -76.92 -32.6 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.874 HD11 HG23 ' A' ' 87' ' ' ILE . 6.1 tp -77.59 155.31 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.431 ' H ' HD12 ' A' ' 57' ' ' LEU . 13.8 mm100 -147.46 177.64 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.47 133.12 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.1 ttt-85 -115.08 125.97 54.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.455 ' CD2' ' HE3' ' A' ' 64' ' ' LYS . 18.1 t80 -128.24 126.75 41.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 t 50.04 25.18 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.5 24.48 53.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' CD2' ' A' ' 61' ' ' TYR . 4.5 ptpt -124.37 154.48 40.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.725 0.298 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mm -96.21 114.86 34.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.441 HD13 HD11 ' A' ' 39' ' ' LEU . 49.7 mt -89.09 158.91 17.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -116.13 164.0 15.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.472 ' N ' ' OD1' ' A' ' 68' ' ' ASN . 2.4 p-10 -56.59 -62.78 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.78 -27.48 59.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -49.64 158.6 0.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.427 ' CG2' HG22 ' A' ' 73' ' ' VAL . 2.2 m -137.62 143.65 41.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.437 ' O ' HG23 ' A' ' 77' ' ' VAL . 3.7 mm? -55.55 -40.49 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.539 HG13 ' O ' ' A' ' 35' ' ' VAL . 23.8 m -67.67 -34.77 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -59.86 -34.88 73.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -82.95 -25.22 32.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.72 55.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.835 HG13 ' OE2' ' A' ' 81' ' ' GLU . 69.5 t -119.11 131.95 70.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 111.158 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 154.72 36.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.588 0.709 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.02 67.49 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 0.0 112.299 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 64.74 35.05 9.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.835 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.8 pt-20 -114.47 173.02 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.82 132.26 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.5 m -137.82 -179.78 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -146.82 113.21 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.18 161.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.72 141.43 48.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.874 HG23 HD11 ' A' ' 57' ' ' LEU . 20.1 mt -117.71 138.81 47.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.792 ' O ' HD12 ' A' ' 57' ' ' LEU . 36.3 p90 -161.42 177.1 10.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.456 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . 7.8 t -116.86 136.05 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.5 p -66.29 -37.85 86.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.838 ' ND2' HD12 ' A' ' 94' ' ' LEU . 26.3 t30 -125.61 83.01 62.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.03 37.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.316 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -72.28 -18.99 61.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.838 HD12 ' ND2' ' A' ' 91' ' ' ASN . 20.5 mt -112.93 -43.64 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.551 ' CD1' HG11 ' A' ' 56' ' ' VAL . 27.2 m-85 -134.53 82.42 45.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.712 0.767 . . . . 0.0 110.978 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 160.71 48.67 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.593 HG13 HD13 ' A' ' 50' ' ' LEU . 11.0 t -107.01 142.52 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.431 ' H ' HD22 ' A' ' 50' ' ' LEU . 48.3 mtp180 -129.85 159.06 37.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.738 ' HB3' HG11 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -55.55 -174.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.7 mm -126.98 131.05 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -39.3 131.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -146.78 -101.25 0.28 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.51 145.37 55.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.5 t -139.99 143.08 36.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 106' ' ' VAL . 11.8 t0 -39.95 154.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 105' ' ' ASP . 3.7 m -33.97 132.89 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.9 t -139.07 147.55 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -124.52 159.76 29.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.7 pt -113.46 160.75 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.3 tp -172.07 144.16 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 6.7 m -96.87 147.87 23.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.7 p -101.24 137.45 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.0 p -86.4 178.65 7.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -119.76 146.27 17.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -171.57 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.5 t -157.54 177.72 11.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.7 t -138.38 151.48 47.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 3' ' ' SER . 87.6 p -78.53 134.4 37.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 2' ' ' SER . 3.2 m 35.82 42.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.9 67.89 0.49 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -60.62 175.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -112.26 -46.58 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.77 64.11 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -132.15 128.07 37.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.757 0.313 . . . . 0.0 110.914 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -66.94 168.59 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.6 m -83.25 91.08 7.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.428 ' O ' HG23 ' A' ' 11' ' ' VAL . 35.2 m -114.16 126.04 71.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -124.89 46.82 2.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -88.38 -46.2 9.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 m -79.78 -48.59 13.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -41.12 144.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.94 149.7 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.059 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.1 m -73.17 98.62 2.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.558 ' HA ' HG22 ' A' ' 83' ' ' VAL . 66.4 t -105.85 109.34 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -77.96 131.33 37.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.532 ' CG1' HD12 ' A' ' 87' ' ' ILE . 76.3 t -119.01 118.96 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.665 HG22 ' HG3' ' A' ' 28' ' ' GLU . 84.0 t -115.64 129.64 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.752 HD13 HG21 ' A' ' 25' ' ' VAL . 26.5 mt -78.88 126.71 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.528 ' N ' ' HD2' ' A' ' 24' ' ' PRO . 1.7 mm -69.62 -57.97 6.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.152 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.528 ' HD2' ' N ' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.72 -36.39 10.99 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.695 2.264 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.752 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -84.58 -47.55 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.84 -6.11 81.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -78.88 142.74 36.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.736 0.303 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.665 ' HG3' HG22 ' A' ' 21' ' ' VAL . 2.2 tt0 -93.25 153.13 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.426 HG13 ' C ' ' A' ' 28' ' ' GLU . 26.8 mt -146.57 126.79 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -106.48 119.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 31' ' ' ILE . 16.5 tt -147.08 130.76 8.31 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 111.124 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 116.4 4.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.336 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.6 t80 -113.29 144.66 42.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -76.68 125.13 28.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.0 m -65.89 -34.98 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -70.75 -31.77 68.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 41' ' ' TYR . 3.7 m -75.43 132.25 40.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 pt -47.1 173.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD13 ' HB2' ' A' ' 66' ' ' LEU . 15.0 mt -75.96 -29.06 58.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 43' ' ' LYS . 15.3 tttt -48.87 -61.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.451 ' HB2' ' CG2' ' A' ' 37' ' ' THR . 7.1 m-85 -35.17 -42.82 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 34.3 tp -64.5 -47.43 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' ILE . 5.5 ptpt -71.89 -20.88 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -76.41 -26.93 56.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.501 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.7 t60 -71.31 -28.96 64.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -93.71 -30.96 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.2 p -60.14 -30.59 69.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.635 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 6.0 p-80 -85.17 -54.59 4.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.638 ' C ' HD13 ' A' ' 49' ' ' LEU . 1.3 tm? -51.08 -55.37 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.42 -33.44 75.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.44 -13.45 61.35 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.539 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 29.8 pt -89.21 150.03 44.15 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.706 . . . . 0.0 111.162 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 54.3 Cg_endo -69.7 164.19 35.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.679 2.252 . . . . 0.0 112.337 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -85.19 -13.1 51.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -57.78 -43.89 85.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.601 HG21 ' HB2' ' A' ' 95' ' ' TYR . 20.8 m -85.84 -32.33 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 87' ' ' ILE . 6.7 tp -78.5 151.17 32.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.423 ' H ' HD12 ' A' ' 57' ' ' LEU . 15.7 mm-40 -149.72 178.19 9.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.512 HD11 ' HB3' ' A' ' 43' ' ' LYS . 73.7 mt -128.94 141.85 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -120.7 124.42 45.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.882 ' HB3' HD11 ' A' ' 66' ' ' LEU . 89.9 t80 -140.75 133.3 28.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t 54.54 29.08 10.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.57 13.44 60.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.52 130.74 53.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 36.8 mm -67.85 120.42 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.882 HD11 ' HB3' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -96.06 155.0 16.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.8 tttp -111.62 165.72 11.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -59.98 -45.32 93.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -58.91 -28.95 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -70.39 139.08 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.3 m -120.0 148.24 43.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.6 mm? -49.69 -56.83 8.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.5 m -51.77 -39.94 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -61.11 -29.75 69.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -84.14 -16.02 45.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.06 50.84 0.91 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.682 HG13 ' OE2' ' A' ' 81' ' ' GLU . 85.1 t -121.87 122.86 67.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.144 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.2 156.12 39.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.56 0.695 . . . . 0.0 110.935 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.57 67.6 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 0.0 112.355 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 67.96 26.93 7.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.682 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.2 pt-20 -115.98 166.23 12.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.7 mt -110.22 137.77 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.558 HG22 ' HA ' ' A' ' 18' ' ' VAL . 13.6 m -137.15 -176.86 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -146.56 117.42 7.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 19.7 m -128.22 147.13 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -112.36 138.57 48.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 57' ' ' LEU . 66.2 mt -116.28 145.35 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.103 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 7.2 p90 -166.53 159.11 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -102.91 133.12 48.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 76.3 p -60.14 -41.64 93.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -123.41 87.9 51.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -68.87 -32.99 73.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.8 mt -98.77 -48.68 4.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.601 ' HB2' HG21 ' A' ' 56' ' ' VAL . 32.1 m-85 -126.87 80.56 70.82 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 154.39 67.84 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.646 2.231 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 57.0 t -95.74 118.25 41.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -93.49 179.56 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.485 ' HB2' HG11 ' A' ' 25' ' ' VAL . 21.8 ttt-85 -97.75 145.99 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.1 mt -117.87 98.05 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -38.79 -53.14 1.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.83 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 69.72 -169.75 44.41 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 104' ' ' THR . 0.3 OUTLIER -51.77 118.13 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.882 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 103' ' ' LEU . 96.8 m -35.39 148.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -50.14 174.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.7 120.91 5.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.5 p -127.25 -175.47 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -129.01 105.47 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.688 HD13 ' H ' ' A' ' 109' ' ' ILE . 0.1 OUTLIER -140.2 158.78 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 13.1 tt -161.5 153.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.422 ' O ' ' C ' ' A' ' 112' ' ' VAL . 15.3 t -152.62 166.02 33.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 111' ' ' THR . 97.9 t -35.92 112.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.4 m -82.52 177.2 8.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.812 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -80.22 -157.92 15.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -176.06 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.387 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.1 t -142.43 124.52 15.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.4 t -62.71 168.76 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.53 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -161.94 164.35 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -96.35 -44.08 7.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.56 77.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -42.99 126.81 3.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.867 0.365 . . . . 0.0 110.891 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -114.42 127.62 55.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.64 118.16 0.48 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 10.2 pt20 -99.49 -41.66 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 8' ' ' GLN . 27.6 mt-10 -113.46 108.91 17.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 m -98.94 134.48 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.4 m -100.73 152.68 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -119.96 66.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -118.7 -47.13 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.0 m -99.9 8.92 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 67.2 mt -88.73 124.59 34.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.15 132.54 54.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.2 m -65.26 97.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.521 ' HA ' HG22 ' A' ' 83' ' ' VAL . 80.6 t -100.39 109.61 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.623 ' O ' HG22 ' A' ' 85' ' ' VAL . 29.8 mtmm -78.96 143.16 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.9 t -126.34 124.23 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.525 HG22 ' HG2' ' A' ' 28' ' ' GLU . 64.6 t -119.7 126.79 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.648 HD13 HG21 ' A' ' 25' ' ' VAL . 27.1 mt -77.54 128.04 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.2 mm -71.03 -58.8 3.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.646 0.736 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.53 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.3 Cg_endo -69.82 -35.27 12.78 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG21 HD13 ' A' ' 22' ' ' LEU . 2.6 t -85.13 -53.37 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.12 4.63 64.55 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.519 ' HB3' HD12 ' A' ' 22' ' ' LEU . 25.6 tt0 -84.02 143.6 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.525 ' HG2' HG22 ' A' ' 21' ' ' VAL . 15.4 mt-10 -94.68 141.07 29.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.2 mt -139.41 142.12 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.6 t -123.44 130.53 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 42' ' ' LEU . 2.3 tt -152.5 132.35 7.17 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 126.27 13.12 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.285 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 3.4 t80 -127.07 164.33 21.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -100.25 131.04 46.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.78 ' O ' HG13 ' A' ' 73' ' ' VAL . 17.9 m -73.8 -20.53 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.2 p30 -98.61 21.67 10.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.8 m -131.03 128.93 41.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.5 pt -43.62 156.23 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.503 HD21 HD11 ' A' ' 72' ' ' LEU . 30.6 mt -71.35 -27.3 63.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 41' ' ' TYR . 13.8 tptt -41.34 -58.87 1.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.442 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.3 m-85 -34.88 -61.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.527 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 14.4 tp -59.05 -40.01 83.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' LYS . 20.7 ttmt -55.94 -62.81 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -51.97 -30.31 24.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.475 ' O ' ' CE1' ' A' ' 48' ' ' HIS . 5.1 t60 -59.85 -39.81 86.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -85.74 -34.01 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.2 p -58.38 -37.19 74.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.657 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.7 p-80 -78.41 -54.84 5.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.657 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -54.12 -62.36 1.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.13 -37.87 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 104.3 -4.55 44.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 15.0 pt -100.95 147.54 33.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.745 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.31 50.17 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -82.99 9.48 10.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -87.5 -8.06 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.16 -24.87 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.52 ' CD1' HG23 ' A' ' 87' ' ' ILE . 3.3 tp -84.67 131.34 34.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -135.4 154.53 51.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.2 mt -106.2 148.3 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -128.04 126.39 41.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.809 ' HB3' HD11 ' A' ' 66' ' ' LEU . 80.2 t80 -136.5 135.76 38.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.5 t 57.1 25.54 10.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.803 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.33 9.55 85.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 146.79 49.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.8 mm -78.52 142.6 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.809 HD11 ' HB3' ' A' ' 61' ' ' TYR . 3.3 mt -117.84 155.32 30.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -99.01 160.14 14.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -71.2 -45.12 64.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -59.13 -25.48 63.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -71.58 -178.23 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 74' ' ' GLN . 1.4 m -145.13 164.04 32.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.163 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.1 mm? -68.47 -35.81 78.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 35' ' ' VAL . 20.8 m -69.45 -16.3 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 71' ' ' THR . 49.3 mt-30 -83.91 -16.96 42.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -102.46 -12.3 17.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.67 59.48 0.63 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.413 HG13 ' OE2' ' A' ' 81' ' ' GLU . 72.9 t -128.2 120.7 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.943 0.402 . . . . 0.0 111.129 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -90.83 157.57 43.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.537 0.684 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 147.64 63.67 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.397 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 64.21 47.61 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.413 ' OE2' HG13 ' A' ' 77' ' ' VAL . 5.6 pt-20 -130.77 163.0 28.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 57.1 mt -106.03 132.17 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 18' ' ' VAL . 12.6 m -135.47 166.63 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -130.86 114.79 15.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.623 HG22 ' O ' ' A' ' 19' ' ' LYS . 31.1 m -122.11 163.8 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -121.35 152.1 39.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.52 HG23 ' CD1' ' A' ' 57' ' ' LEU . 15.0 mt -131.09 139.77 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -163.0 169.48 19.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.0 t -114.06 122.33 46.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 30.6 p -46.6 -38.75 10.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -127.96 86.26 58.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.569 0.7 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -11.88 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.674 2.249 . . . . 0.0 112.394 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.51 -31.05 63.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.64 -50.56 4.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HB3' ' CG2' ' A' ' 52' ' ' ILE . 55.4 m-85 -128.45 80.99 71.51 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 138.7 38.6 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.61 ' CG1' HD22 ' A' ' 22' ' ' LEU . 45.1 t -76.0 121.41 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -99.68 165.19 11.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.411 ' HB3' HG11 ' A' ' 25' ' ' VAL . 25.7 ptt180 -82.0 156.17 24.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.407 HD13 ' HG ' ' A' ' 49' ' ' LEU . 23.2 mt -121.86 105.02 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -53.31 126.17 20.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -160.08 147.87 15.53 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.7 tp -122.0 96.27 4.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.3 t -172.75 147.54 1.76 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -173.64 114.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.4 p -147.88 123.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -165.12 -178.69 5.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? -141.86 163.64 32.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 pt -114.44 102.26 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 9.6 tt -151.16 146.82 15.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.5 m -162.06 130.6 4.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.189 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 32.1 m -87.5 138.76 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.7 p -91.06 173.81 7.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -151.16 147.73 18.01 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.36 8.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.357 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 93.7 p -149.17 170.4 18.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 69.6 m -148.6 174.78 11.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 1' ' ' GLY . 78.8 p 34.63 42.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.856 0.36 . . . . 0.0 110.849 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -124.26 170.89 10.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.66 49.24 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.4 m -118.68 149.73 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 t -51.33 115.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.99 -100.89 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 51.29 48.18 23.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.47 -40.81 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.7 m -85.0 156.85 20.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.62 120.91 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.57 44.18 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 13' ' ' ASP . 0.8 OUTLIER -96.17 -31.07 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 65.7 m -87.08 -37.26 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -50.88 134.95 25.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -117.45 153.58 32.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 m -82.36 109.18 16.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.8 t -111.74 109.51 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' O ' HG22 ' A' ' 85' ' ' VAL . 92.1 mttt -78.65 123.34 27.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.786 ' CG1' HD12 ' A' ' 87' ' ' ILE . 78.9 t -101.24 126.07 55.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.444 HG22 ' HG2' ' A' ' 28' ' ' GLU . 54.2 t -115.88 134.25 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 25' ' ' VAL . 37.2 mt -88.72 127.43 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.4 mm -72.05 -58.57 3.23 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.638 0.733 . . . . 0.0 111.159 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.82 -27.74 25.82 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.309 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.821 HG21 HD13 ' A' ' 22' ' ' LEU . 2.4 t -94.51 -54.25 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.31 -2.89 63.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -76.97 155.72 32.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' HG2' HG22 ' A' ' 21' ' ' VAL . 35.2 mt-10 -111.83 133.42 54.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.3 mt -133.96 126.51 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.2 t -99.89 116.15 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HD2' ' A' ' 32' ' ' PRO . 1.8 tp -129.32 133.46 25.17 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.447 ' HD2' HD12 ' A' ' 31' ' ' ILE . 53.3 Cg_endo -69.76 113.23 3.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.315 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 42' ' ' LEU . 5.4 t80 -126.35 156.33 40.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -88.93 162.23 16.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 25.7 m -99.06 -31.18 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.95 25.8 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -130.15 138.33 50.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 20.9 pt -56.23 150.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.5 mt -65.16 -21.07 66.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -49.3 -49.69 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -47.06 -56.33 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 33' ' ' PHE . 20.7 tp -62.53 -33.03 74.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -57.82 -70.18 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -39.11 -36.48 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.45 ' O ' ' ND1' ' A' ' 48' ' ' HIS . 3.7 t60 -51.08 -58.95 4.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -76.56 -35.93 57.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.539 ' H ' ' HG ' ' A' ' 47' ' ' SER . 0.7 OUTLIER -54.83 -49.15 71.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.864 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.661 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 3.9 p-80 -68.3 -54.92 14.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.661 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.6 OUTLIER -50.84 -59.93 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.51 -26.95 45.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.48 25.22 31.19 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.465 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 38.0 pt -130.61 150.66 76.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.658 0.742 . . . . 0.0 111.154 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.73 36.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.1 p80 -57.56 -19.7 27.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.5 p -54.77 -59.08 5.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.598 HG21 ' HB2' ' A' ' 95' ' ' TYR . 18.2 m -69.3 -28.23 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.739 HD11 HG23 ' A' ' 87' ' ' ILE . 11.1 tp -81.72 142.72 32.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -143.6 171.68 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.1 mt -130.71 134.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -114.78 137.07 52.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.636 ' CB ' HD11 ' A' ' 66' ' ' LEU . 65.2 t80 -144.67 125.09 13.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.5 t 64.33 26.05 13.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.26 -9.72 66.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' NZ ' ' HB3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -93.99 161.9 14.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.751 0.31 . . . . 0.0 110.891 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 30.9 mm -102.14 99.89 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.653 HD22 ' CE1' ' A' ' 75' ' ' HIS . 21.6 mt -69.11 163.46 24.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.457 ' N ' ' OE1' ' A' ' 70' ' ' GLU . 24.0 mtpt -129.79 166.43 19.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.427 ' ND2' ' H ' ' A' ' 69' ' ' ASN . 1.4 p-10 -59.89 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.427 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 4.3 t30 -45.39 -39.94 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 67' ' ' LYS . 27.0 mt-10 -55.26 160.68 2.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.16 150.09 51.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.27 -55.91 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -48.98 -46.38 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -50.24 -31.05 13.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.653 ' CE1' HD22 ' A' ' 66' ' ' LEU . 97.0 m-70 -84.82 -28.74 25.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 116.03 57.91 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.819 HG13 ' OE2' ' A' ' 81' ' ' GLU . 96.7 t -121.98 121.84 65.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.3 mttm -86.17 155.7 57.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.628 0.728 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.5 48.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.334 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 62.36 39.97 11.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.819 ' OE2' HG13 ' A' ' 77' ' ' VAL . 8.6 pt-20 -118.33 163.94 15.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 77.7 mt -107.58 118.73 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.98 -175.54 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -142.1 122.29 13.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 19' ' ' LYS . 33.4 m -128.25 171.8 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -133.28 153.17 51.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.786 HD12 ' CG1' ' A' ' 20' ' ' VAL . 72.1 mt -129.79 137.41 56.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.5 p90 -163.29 167.55 21.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -114.72 142.25 46.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.2 p -67.25 -31.54 71.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.417 ' ND2' HD12 ' A' ' 94' ' ' LEU . 6.1 t30 -132.12 85.3 50.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -11.0 29.83 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -74.71 -31.46 61.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.417 HD12 ' ND2' ' A' ' 91' ' ' ASN . 45.5 mt -96.99 -51.83 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.598 ' HB2' HG21 ' A' ' 56' ' ' VAL . 39.4 m-85 -126.69 81.29 69.03 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.684 0.754 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 153.89 68.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.715 2.276 . . . . 0.0 112.319 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.3 t -96.58 141.3 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.104 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -132.27 169.56 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.464 ' CD ' ' H ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -65.8 164.14 15.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.4 mm -94.34 113.56 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -41.15 160.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.05 159.06 27.39 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.438 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.7 tp -87.65 127.13 35.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.91 0.386 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 17.9 p -89.81 175.36 7.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -108.19 -50.36 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.9 t -130.09 133.23 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 t -173.11 166.59 4.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.822 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -160.94 144.38 13.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 7.9 tp -145.38 140.35 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 12.8 tt -137.96 153.67 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.5 m -62.18 118.59 7.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 24.3 t -130.02 148.12 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.2 p -46.15 161.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -165.23 -179.87 39.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.511 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.81 55.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.8 p -130.66 169.99 14.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 60.7 p -86.4 178.36 7.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.809 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -95.86 98.0 10.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -129.35 137.71 51.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.42 179.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.531 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -78.58 81.74 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -171.51 131.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.69 161.94 16.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -108.12 -55.09 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 110.903 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -48.18 137.83 10.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -170.1 168.47 8.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.2 m -75.66 157.68 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -114.17 21.08 15.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.89 -49.05 72.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 m -85.04 -45.72 11.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -39.74 140.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.942 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -125.48 140.24 52.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.8 m -72.05 97.93 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.498 ' HA ' HG22 ' A' ' 83' ' ' VAL . 54.9 t -102.49 111.57 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' HG22 ' A' ' 85' ' ' VAL . 53.3 mttm -79.29 128.47 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.581 ' CG1' HD12 ' A' ' 87' ' ' ILE . 97.8 t -111.17 123.43 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 28' ' ' GLU . 51.8 t -120.96 128.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.791 HD13 HG21 ' A' ' 25' ' ' VAL . 37.9 mt -80.44 126.96 31.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.531 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.5 mm -70.52 -58.69 4.46 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.531 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.9 Cg_endo -69.73 -34.81 13.91 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.663 2.242 . . . . 0.0 112.37 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.791 HG21 HD13 ' A' ' 22' ' ' LEU . 2.5 t -85.94 -46.52 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.4 83.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.523 ' HB3' HD12 ' A' ' 22' ' ' LEU . 22.1 tt0 -70.67 153.62 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.91 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.453 ' HG2' HG22 ' A' ' 21' ' ' VAL . 31.9 mt-10 -111.22 140.75 45.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 30' ' ' VAL . 80.0 mt -136.19 153.15 31.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.135 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.43 ' N ' HG22 ' A' ' 29' ' ' ILE . 85.4 t -132.98 113.51 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.56 128.59 10.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.613 0.721 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 124.87 11.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 10.8 t80 -126.37 135.8 51.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -62.8 133.43 54.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -73.71 -37.95 50.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -87.54 35.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.4 m -137.19 139.62 41.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.873 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.5 pp -51.55 169.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 67' ' ' LYS . 10.1 mt -91.53 -28.12 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 39' ' ' LEU . 15.0 tttm -33.14 -71.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.873 ' CD2' HD11 ' A' ' 38' ' ' ILE . 42.0 m-85 -36.48 -64.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 23.2 tp -48.17 -36.32 13.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 40' ' ' LYS . 25.5 ttmt -68.6 -60.04 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -53.85 -25.59 20.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -62.77 -38.09 89.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -89.33 -33.37 16.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.416 ' OG ' ' N ' ' A' ' 48' ' ' HIS . 3.7 p -58.42 -58.63 7.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.649 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.6 p80 -57.75 -53.85 53.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.649 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -51.79 -58.4 6.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.1 mt -57.68 -20.44 33.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.51 5.16 75.64 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.4 pt -116.76 151.18 46.94 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.152 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.28 57.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -78.45 -19.41 53.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -53.15 -38.07 62.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.527 HG23 ' N ' ' A' ' 57' ' ' LEU . 33.0 m -90.46 -45.66 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.145 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.527 ' N ' HG23 ' A' ' 56' ' ' VAL . 3.3 tp -66.81 140.06 57.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' N ' HD12 ' A' ' 57' ' ' LEU . 12.9 mm100 -141.79 171.68 13.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.416 HD12 ' HE3' ' A' ' 43' ' ' LYS . 20.1 mt -128.62 147.12 33.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -122.7 139.6 53.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.538 ' HB3' HD21 ' A' ' 66' ' ' LEU . 68.3 t80 -154.93 130.47 9.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.9 m 58.44 25.15 12.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.07 5.45 75.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -119.19 139.21 52.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.711 0.291 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 33.7 mm -78.39 116.02 21.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.141 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.538 HD21 ' HB3' ' A' ' 61' ' ' TYR . 6.2 mt -78.54 161.75 26.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.95 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.612 ' O ' HD12 ' A' ' 39' ' ' LEU . 32.6 tttm -112.75 165.25 12.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.852 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -71.15 -49.58 42.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -69.41 -2.92 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CG ' ' HB3' ' A' ' 67' ' ' LYS . 24.2 mm-40 -83.87 160.07 21.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.44 148.2 45.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.486 HD21 ' CD2' ' A' ' 39' ' ' LEU . 4.2 mm? -58.91 -44.95 91.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 m -65.58 -26.45 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -69.71 -25.62 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -92.21 -39.98 11.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.92 61.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.815 HG13 ' OE2' ' A' ' 81' ' ' GLU . 61.6 t -131.34 133.71 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -103.3 157.61 33.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.541 0.686 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 147.71 63.81 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.369 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 58.5 44.38 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.815 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.8 pt-20 -121.13 168.28 11.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 58.7 mt -116.71 124.81 73.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 18' ' ' VAL . 3.4 m -128.39 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -145.34 115.48 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.962 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 19' ' ' LYS . 18.7 m -125.26 145.98 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.07 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -108.37 138.83 44.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.581 HD12 ' CG1' ' A' ' 20' ' ' VAL . 38.9 mt -111.15 142.99 21.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 3.5 p90 -164.64 163.34 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.0 t -114.78 142.86 45.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 41.4 p -73.64 -37.22 65.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -111.23 80.84 2.62 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -36.47 10.75 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -62.08 -39.0 90.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -87.28 -51.73 5.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.475 ' CD1' HG11 ' A' ' 56' ' ' VAL . 64.3 m-85 -125.64 80.93 65.73 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.654 0.74 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.81 28.73 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.258 . . . . 0.0 112.323 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.46 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 40.6 t -74.76 118.5 20.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -96.19 177.81 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.69 172.59 8.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.2 mt -141.61 141.71 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.21 178.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.87 172.09 13.29 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.604 ' H ' HD23 ' A' ' 103' ' ' LEU . 0.4 OUTLIER -95.55 105.29 17.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.947 0.403 . . . . 0.0 110.94 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 75.3 p -122.51 168.23 12.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.0 39.15 16.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.7 t -60.98 119.25 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.9 p -131.02 146.31 52.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -107.85 41.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 5.4 tt -76.16 -34.82 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.441 HG23 HG23 ' A' ' 112' ' ' VAL . 14.8 tt -50.47 156.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.8 m -45.69 99.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.441 HG23 HG23 ' A' ' 110' ' ' ILE . 48.6 t -135.74 144.06 34.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 112' ' ' VAL . 10.9 t -35.22 125.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -102.79 170.28 19.89 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -167.86 0.25 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.641 2.227 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 92.2 p -172.71 157.12 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 38.6 p -170.44 143.68 2.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m 53.07 42.13 32.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -102.51 141.87 34.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.13 -79.58 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 p -107.83 90.78 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 7' ' ' GLY . 58.1 m -143.58 129.97 19.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.867 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.73 -84.62 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -169.71 112.72 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.773 0.321 . . . . 0.0 110.937 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -86.5 134.81 33.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.4 p -99.47 43.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.7 p -128.53 131.4 68.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -124.43 39.73 3.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -44.05 -44.94 7.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.3 p -106.12 -41.08 5.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' CD2' ' HD2' ' A' ' 34' ' ' LYS . 11.8 mt -39.4 146.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.1 156.73 46.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 m -85.91 108.79 18.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.125 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.3 t -109.33 101.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.26 129.64 38.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.43 131.38 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.4 t -123.28 131.44 73.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.827 HD13 HG21 ' A' ' 25' ' ' VAL . 55.8 mt -84.43 127.05 33.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.519 HG22 ' N ' ' A' ' 24' ' ' PRO . 1.3 mm -72.51 -58.2 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.59 0.709 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' N ' HG22 ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.79 -22.25 32.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.637 2.224 . . . . 0.0 112.375 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.827 HG21 HD13 ' A' ' 22' ' ' LEU . 2.7 t -101.73 -57.9 4.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 22' ' ' LEU . . . 99.02 6.22 56.04 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.533 ' HB3' HD12 ' A' ' 22' ' ' LEU . 8.9 tt0 -81.06 148.75 29.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -106.33 131.19 53.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.6 mt -127.79 150.47 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.6 t -129.47 126.25 63.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 6.5 tt -153.23 135.96 9.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.652 0.739 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 31' ' ' ILE . 53.9 Cg_endo -69.71 139.97 41.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' CZ ' ' HB2' ' A' ' 42' ' ' LEU . 7.4 t80 -148.23 154.56 40.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HD2' ' CD2' ' A' ' 15' ' ' LEU . 4.9 mptt -80.94 138.26 36.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.617 ' O ' HG13 ' A' ' 73' ' ' VAL . 26.1 m -83.89 -22.11 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -98.65 9.98 42.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.6 m -115.93 140.25 49.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.176 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.826 HD11 ' CD2' ' A' ' 41' ' ' TYR . 2.6 pp -47.46 172.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.6 mt -91.48 -29.23 17.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.637 ' HB3' HD13 ' A' ' 38' ' ' ILE . 20.0 tptt -32.14 -71.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.826 ' CD2' HD11 ' A' ' 38' ' ' ILE . 44.1 m-85 -34.07 -45.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 33' ' ' PHE . 19.1 tp -70.59 -43.43 69.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 40' ' ' LYS . 8.2 ttmm -53.37 -66.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 45' ' ' HIS . 38.3 m-20 -48.32 -49.08 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.431 ' C ' ' O ' ' A' ' 44' ' ' ASP . 3.7 t60 -34.61 -39.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.811 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 47' ' ' SER . 45.0 m-85 -90.82 -55.09 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 46' ' ' PHE . 15.3 m -37.04 -69.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.789 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.655 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 1.4 p80 -46.3 -54.19 9.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.655 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 1.4 tm? -48.52 -62.2 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mt -55.61 -26.87 46.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 91.85 17.05 49.65 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' ' 95' ' ' TYR . 33.7 pt -122.43 151.53 59.72 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 111.137 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 142.21 47.54 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.6 p80 -67.0 -12.26 59.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.9 t -57.54 -56.17 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.827 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 95' ' ' TYR . 30.3 m -73.21 -36.36 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.582 HD11 HG23 ' A' ' 87' ' ' ILE . 8.8 tp -69.9 139.63 53.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -137.33 169.07 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 51.6 mt -131.43 123.94 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -109.52 131.71 54.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -138.81 125.35 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 t 55.45 29.41 13.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 77.45 15.4 81.47 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.45 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -117.08 155.97 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.8 mm -97.01 102.21 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 57.3 mt -69.83 -177.68 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.979 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.455 ' O ' HD12 ' A' ' 39' ' ' LEU . 27.7 mttp -164.92 178.6 7.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.509 ' C ' ' ND2' ' A' ' 68' ' ' ASN . 0.4 OUTLIER -68.96 -71.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.57 -26.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 148.24 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.54 161.63 20.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 72' ' ' LEU . 3.4 mm? -64.43 -44.5 91.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 35' ' ' VAL . 27.2 m -66.73 -21.7 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -76.43 -25.82 54.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -91.69 -21.28 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.76 52.13 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.78 HG13 ' OE2' ' A' ' 81' ' ' GLU . 78.2 t -125.56 135.86 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 111.06 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.7 mtpp -107.67 160.58 26.17 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.519 0.676 . . . . 0.0 110.937 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.19 59.25 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 62.62 41.14 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.78 ' OE2' HG13 ' A' ' 77' ' ' VAL . 7.5 pt-20 -125.45 161.71 26.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.52 134.03 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.0 m -134.93 -177.49 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -144.04 119.89 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 27.9 m -118.82 162.37 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -121.87 139.7 53.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.582 HG23 HD11 ' A' ' 57' ' ' LEU . 19.9 mt -117.96 140.99 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 5.8 p90 -163.46 173.3 13.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.7 t -119.65 135.88 54.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.1 p -63.75 -36.84 85.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -128.33 86.96 56.51 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -17.53 37.4 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.22 -37.82 81.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.2 mt -90.04 -53.35 4.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.504 ' HB2' HG21 ' A' ' 56' ' ' VAL . 27.1 m-85 -126.95 78.61 73.82 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.682 0.753 . . . . 0.0 110.956 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 141.06 44.04 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.317 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.477 ' HB ' ' CG ' ' A' ' 24' ' ' PRO . 42.8 t -77.13 142.65 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -121.15 -176.39 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.525 ' HB2' HG11 ' A' ' 25' ' ' VAL . 13.4 ttp180 -102.02 147.36 26.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 90.7 mt -113.57 136.25 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -89.38 168.24 12.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -121.8 154.49 16.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.892 HD13 ' N ' ' A' ' 104' ' ' THR . 0.0 OUTLIER -60.28 -12.45 9.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.93 0.395 . . . . 0.0 110.928 -179.87 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.892 ' N ' HD13 ' A' ' 103' ' ' LEU . 93.8 m -64.07 -44.88 91.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -93.76 132.1 38.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.6 p -93.04 135.77 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 m -128.78 93.95 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -106.57 -45.09 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 109' ' ' ILE . 2.0 tp -132.03 85.23 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 8.5 tp -151.71 140.9 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.9 p -86.22 115.17 23.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 113' ' ' SER . 9.9 p -98.24 142.43 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 112' ' ' VAL . 32.3 t -35.18 139.06 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.824 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -108.19 72.05 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -12.71 33.39 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.314 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.9 t 55.46 49.21 17.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.7 t -96.83 128.38 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.978 . . . . . . . . 0 0 . 1 stop_ save_